Geometry & MOs

Info

ID:	174895
PubChem CID:	75826996
Reduced:	OSN2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	21.34
Dipole, Da:	5.53
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-oxo-4-(2-pyridin-4-ylazepan-1-yl)butyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)C2=CC3=CC=CC=C3S2)C4=CC=NC=C4

DOS

IR

Vibrations