Geometry & MOs

Info

ID:	444698
PubChem CID:	135263279
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	502.201417
ΔH_f, kcal/mol:	-35.09
Dipole, Da:	3.32
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[1-(1H-indol-3-yl)hexan-2-yl]-2H-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(O2)(C)C

DOS

IR

Vibrations