Geometry & MOs

Info

ID:	370891
PubChem CID:	127341217
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-51.67
Dipole, Da:	7.05
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-3-oxopiperazin-1-yl)-N-(1-phenylcyclobutyl)acetamide

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations