Geometry & MOs

Info

ID:	156191
PubChem CID:	56369449
Reduced:	O2N5C23H37 (1)
Stoich.:	A2B5C23D37 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-81.66
Dipole, Da:	1.02
IP(EA), eV:	-8.31(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)acetyl]-N-[1-(3-nitrophenyl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCCCCN3CCN(CC3)C

DOS

IR

Vibrations