Geometry & MOs

Info

ID:	152239
PubChem CID:	56311129
Reduced:	BrO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-33.71
Dipole, Da:	4.33
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations