Geometry & MOs

Info

ID:	152984
PubChem CID:	56312089
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-111.98
Dipole, Da:	4.11
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations