Geometry & MOs

Info

ID:

325161

PubChem CID:

126681681

Reduced:

N3O3C39H41 (1)

Stoich.:

A3B3C39D41 (1)

Weight, g/mol:

600.310041

ΔHf, kcal/mol:

15.06

Dipole, Da:

3.36

IP(EA), eV:

 -8.69(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(cyclopropylmethylamino)-(3-methoxy-2-phenylmethoxyphenyl)methyl]phenyl]-2-(3-ethylphenyl)-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=CC(=N2)C)C(=O)NC3=CC=CC(=C3)C(CCC4CC4)C5=C(C(=CC=C5)OC)OCC6=CC=CC=C6

DOS

IR

Vibrations