Geometry & MOs

Info

ID:	308616
PubChem CID:	126497154
Reduced:	NC6H6 (4)
Stoich.:	AB6C6 (4)
Weight, g/mol:	452.293997
ΔH_f, kcal/mol:	108.05
Dipole, Da:	4.75
IP(EA), eV:	-8.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-5-prop-2-enyl-6,6a-dihydro-5H-purino[9,8-a]quinoline

Drug info:

PubChemData

Smile

CC1C(C2=CC=CC=C2N3C1N(C4=NC(=NC=C43)C5=CC=CC=C5C)C)C=C

DOS

IR

Vibrations