Geometry & MOs

Info

ID:	153093
PubChem CID:	56312226
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-25.76
Dipole, Da:	4.24
IP(EA), eV:	-8.59(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC3=NSN=C32)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations