Geometry & MOs

Info

ID:	121683
PubChem CID:	50776866
Reduced:	SO3N4C27H34 (1)
Stoich.:	AB3C4D27E34 (1)
Weight, g/mol:	382.130887
ΔH_f, kcal/mol:	-95.64
Dipole, Da:	4.0
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC2=C(C=C1)SCC(=O)N2CC(=O)NC3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations