Geometry & MOs

Info

ID:	152662
PubChem CID:	56311691
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-57.54
Dipole, Da:	9.81
IP(EA), eV:	-8.29(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations