Geometry & MOs

Info

ID:	152067
PubChem CID:	56310919
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-147.85
Dipole, Da:	2.13
IP(EA), eV:	-8.71(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations