Geometry & MOs

Info

ID:	152355
PubChem CID:	56311270
Reduced:	SN4O4C25H34 (1)
Stoich.:	AB4C4D25E34 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-147.63
Dipole, Da:	8.26
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-8-methyl-4-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(C)C

DOS

IR

Vibrations