Geometry & MOs

Info

ID:	308604
PubChem CID:	126497137
Reduced:	N3C13H14 (2)
Stoich.:	A3B13C14 (2)
Weight, g/mol:	472.262697
ΔH_f, kcal/mol:	135.2
Dipole, Da:	3.86
IP(EA), eV:	-7.99(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,6-dimethylphenyl)-5-ethenyl-5,6,6-trimethyl-7-phenyl-6aH-purino[9,8-a]quinoline

Drug info:

PubChemData

Smile

CC1C(C2N(C=CN2C3=CC=CC=C13)C)C4N(C5=NC=CN=C5N4C6=CC=CC=C6C)C

DOS

IR

Vibrations