Geometry & MOs

Info

ID:	379170
PubChem CID:	134356432
Reduced:	ClC12H19 (1)
Stoich.:	AB12C19 (1)
Weight, g/mol:	432.202222
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	2.7
IP(EA), eV:	-8.91(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-1-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-6-one

Drug info:

PubChemData

Smile

CCC/C(=C/C=C(\CC)/Cl)/CC=C

DOS

IR

Vibrations