Geometry & MOs

Info

ID:	150268
PubChem CID:	53789956
Reduced:	F3N3O8H22C27 (1)
Stoich.:	A3B3C8D22E27 (1)
Weight, g/mol:	523.247107
ΔH_f, kcal/mol:	-336.46
Dipole, Da:	8.09
IP(EA), eV:	-10.49(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-(3-methyl-4-oxo-2-phenylchromen-8-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C(F)(F)F)C)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations