Geometry & MOs

Info

ID:	153197
PubChem CID:	56312349
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-126.01
Dipole, Da:	4.83
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=C(C=C2)C(=O)N(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations