Geometry & MOs

Info

ID:	152596
PubChem CID:	56311567
Reduced:	ClN3O5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-167.86
Dipole, Da:	4.13
IP(EA), eV:	-8.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=C(C=C2OC)Cl)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations