Geometry & MOs

Info

ID:	152468
PubChem CID:	56311402
Reduced:	SN4O4C25H32 (1)
Stoich.:	AB4C4D25E32 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-130.22
Dipole, Da:	5.78
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations