Geometry & MOs

Info

ID:	78517
PubChem CID:	49693458
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	0.99
IP(EA), eV:	-9.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(naphthalene-1-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations