Geometry & MOs

Info

ID:	152878
PubChem CID:	56311958
Reduced:	N2O2C11H17 (2)
Stoich.:	A2B2C11D17 (2)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-177.75
Dipole, Da:	8.25
IP(EA), eV:	-8.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations