Geometry & MOs

Info

ID:	443788
PubChem CID:	135259992
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	423.161915
ΔH_f, kcal/mol:	-112.28
Dipole, Da:	6.02
IP(EA), eV:	-9.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyanophenyl)methyl]triazol-4-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)C(=O)C3=CC=CO3

DOS

IR

Vibrations