Geometry & MOs

Info

ID:	152156
PubChem CID:	56311024
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	423.288577
ΔH_f, kcal/mol:	-66.56
Dipole, Da:	3.35
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)Cl

DOS

IR

Vibrations