Geometry & MOs

Info

ID:	143113
PubChem CID:	53148881
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	345.165269
ΔH_f, kcal/mol:	61.21
Dipole, Da:	2.5
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC=N2)N=C1C3=CC(=CC=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations