Geometry & MOs

Info

ID:	152298
PubChem CID:	56311201
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-124.73
Dipole, Da:	1.25
IP(EA), eV:	-8.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations