Geometry & MOs

Info

ID:	152940
PubChem CID:	56312035
Reduced:	O3N4C29H32 (1)
Stoich.:	A3B4C29D32 (1)
Weight, g/mol:	466.294391
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	4.55
IP(EA), eV:	-8.9(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations