Geometry & MOs

Info

ID:	80065
PubChem CID:	49832641
Reduced:	OF2N5H21C23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	467.193295
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	7.9
IP(EA), eV:	-9.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[[methyl-[(3S)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@H]1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=C(C(=CC=C4)F)F

DOS

IR

Vibrations