Geometry & MOs

Info

ID:	121139
PubChem CID:	50756923
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	460.227454
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	0.95
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-5-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

CC1(CN2C(=CC3=C2C=C(C=C3)OC)C(=O)N1CC4=CC=CC=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations