Geometry & MOs

Info

ID:

326601

PubChem CID:

126687862

Reduced:

N8O11C51H80 (1)

Stoich.:

A8B11C51D80 (1)

Weight, g/mol:

573.271545

ΔHf, kcal/mol:

-524.95

Dipole, Da:

4.38

IP(EA), eV:

 -8.62(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[[bis(cyclopropylmethyl)amino]-phenylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CCO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)N[C@@H](CO)C(C)C)O)N

DOS

IR

Vibrations