Geometry & MOs

Info

ID:	370872
PubChem CID:	127341178
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-75.32
Dipole, Da:	8.64
IP(EA), eV:	-9.07(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-(3-oxo-2-phenylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCN2C(=O)CN3CCNC(=O)C3C4=CC=CC=C4

DOS

IR

Vibrations