Geometry & MOs

Info

ID:	153081
PubChem CID:	56312212
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	4.17
IP(EA), eV:	-8.4(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=C)C)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations