Geometry & MOs

Info

ID:	152091
PubChem CID:	56310948
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	-129.96
Dipole, Da:	5.82
IP(EA), eV:	-8.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(7-acetamido-2-oxochromen-4-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC(=CC3=C2OCOC3)Cl)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations