Geometry & MOs

Info

ID:	152260
PubChem CID:	56311153
Reduced:	BrO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	7.33
IP(EA), eV:	-8.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations