Geometry & MOs

Info

ID:	83139
PubChem CID:	49857197
Reduced:	ON4C12H12 (2)
Stoich.:	AB4C12D12 (2)
Weight, g/mol:	426.180424
ΔH_f, kcal/mol:	95.88
Dipole, Da:	12.53
IP(EA), eV:	-8.81(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,10-pentaen-7-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C2C1=C(N=C3N2NC=C3C4=CN=C(C=C4)C5=CN(N=C5)C)C6CCC(CC6)C(=O)O

DOS

IR

Vibrations