Geometry & MOs

Info

ID:	147460
PubChem CID:	53787116
Reduced:	ClNOC8H8 (1)
Stoich.:	ABCD8E8 (1)
Weight, g/mol:	456.127441
ΔH_f, kcal/mol:	22.41
Dipole, Da:	1.78
IP(EA), eV:	-9.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chlorobenzoyl)piperidin-1-yl]propyl N-(1-benzothiophen-6-yl)carbamate

Drug info:

PubChemData

Smile

C=NOCC1=CC=CC=C1Cl

DOS

IR

Vibrations