Geometry & MOs

Info

ID:

223894

PubChem CID:

85335714

Reduced:

N7O8C32H41 (1)

Stoich.:

A7B8C32D41 (1)

Weight, g/mol:

651.324369

ΔHf, kcal/mol:

-325.05

Dipole, Da:

7.39

IP(EA), eV:

 -8.81(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butanedioic acid;(4,6-dimethylpyrimidin-5-yl)-[4-[4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)N)N

DOS

IR

Vibrations