Geometry & MOs

Info

ID:	152292
PubChem CID:	56311192
Reduced:	ClN4O4C22H25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-106.63
Dipole, Da:	6.57
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NNC(=O)C2=CC=CC=C2Cl)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations