Geometry & MOs

Info

ID:	443761
PubChem CID:	135259944
Reduced:	N2O2F3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	482.148965
ΔH_f, kcal/mol:	-181.16
Dipole, Da:	5.59
IP(EA), eV:	-9.13(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]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)CC3=CC(=C(C=C3F)F)F

DOS

IR

Vibrations