Geometry & MOs

Info

ID:	152196
PubChem CID:	56311074
Reduced:	N4O4C23H34 (1)
Stoich.:	A4B4C23D34 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-181.5
Dipole, Da:	3.12
IP(EA), eV:	-8.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC(=O)NC2CCCCC2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations