Geometry & MOs

Info

ID:	153194
PubChem CID:	56312346
Reduced:	N3O5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-158.36
Dipole, Da:	6.26
IP(EA), eV:	-8.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations