Geometry & MOs

Info

ID:	152400
PubChem CID:	56311319
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-44.87
Dipole, Da:	4.44
IP(EA), eV:	-8.4(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations