Geometry & MOs

Info

ID:	139905
PubChem CID:	52615828
Reduced:	N2Cl3O3H13C22 (1)
Stoich.:	A2B3C3D13E22 (1)
Weight, g/mol:	445.21322
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	5.64
IP(EA), eV:	-8.94(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)CC4=CC(=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations