Geometry & MOs

Info

ID:	152042
PubChem CID:	56310893
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-141.26
Dipole, Da:	3.32
IP(EA), eV:	-8.89(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-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)NC(=O)NC3CCCCC3

DOS

IR

Vibrations