Geometry & MOs

Info

ID:	151766
PubChem CID:	56310559
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-143.0
Dipole, Da:	5.52
IP(EA), eV:	-8.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NCC(=O)NC2=C(C=CC=C2C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations