Geometry & MOs

Info

ID:	152182
PubChem CID:	56311054
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	5.72
IP(EA), eV:	-8.47(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-(2-chloroanilino)-3-oxopropyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations