Geometry & MOs

Info

ID:	308614
PubChem CID:	126497150
Reduced:	SH19C22 (2)
Stoich.:	AB19C22 (2)
Weight, g/mol:	439.273596
ΔH_f, kcal/mol:	240.65
Dipole, Da:	3.99
IP(EA), eV:	-7.18(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3,5-di(propan-2-yl)pyridin-4-yl]-5-ethenyl-6,7-dimethyl-6,6a-dihydro-5H-purino[7,8-a]quinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)S(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)C

DOS

IR

Vibrations