Geometry & MOs

Info

ID:	145781
PubChem CID:	53592389
Reduced:	ClFO2N3C16H21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	317.133969
ΔH_f, kcal/mol:	-146.47
Dipole, Da:	5.3
IP(EA), eV:	-9.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCNC(=O)NCC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations