Geometry & MOs

Info

ID:	443755
PubChem CID:	135259923
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	453.172479
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	6.97
IP(EA), eV:	-8.81(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-cyano-4-methoxyphenyl)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=CC=C2)C)CC3=CC4=C(C=C3)OC(=C4)C(=O)O

DOS

IR

Vibrations