Geometry & MOs

Info

ID:	363048
PubChem CID:	127310079
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	6.24
Dipole, Da:	6.31
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)NC(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations