Geometry & MOs

Info

ID:	151936
PubChem CID:	56310769
Reduced:	O3N4C30H34 (1)
Stoich.:	A3B4C30D34 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-73.64
Dipole, Da:	5.73
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-2-oxochromen-7-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations