Geometry & MOs

Info

ID:	308615
PubChem CID:	126497153
Reduced:	N5C28H33 (1)
Stoich.:	A5B28C33 (1)
Weight, g/mol:	368.200097
ΔH_f, kcal/mol:	90.69
Dipole, Da:	6.85
IP(EA), eV:	-8.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethenyl-6,7-dimethyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations