Geometry & MOs

Info

ID:	152950
PubChem CID:	56312049
Reduced:	SN4O4C23H26 (1)
Stoich.:	AB4C4D23E26 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	3.66
IP(EA), eV:	-9.15(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC4=C(C(=C(S4)C(=O)OC)C)C(=O)N3

DOS

IR

Vibrations