Geometry & MOs

Info

ID:	443733
PubChem CID:	135259871
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	428.17723
ΔH_f, kcal/mol:	-121.71
Dipole, Da:	6.52
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)C2=CC=C(C=C2)OC)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations