Geometry & MOs

Info

ID:	353673
PubChem CID:	127285250
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	5.17
IP(EA), eV:	-9.11(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-3-oxopiperazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N2CCC(CC2)CCC3=CC=C(C=C3)C

DOS

IR

Vibrations