Geometry & MOs

Info

ID:	151758
PubChem CID:	56310508
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	4.24
IP(EA), eV:	-8.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations