Geometry & MOs

Info

ID:	311546
PubChem CID:	126593786
Reduced:	ON2H16C20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	313.157898
ΔH_f, kcal/mol:	57.44
Dipole, Da:	3.27
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-6-(2-methylpyrazol-3-yl)-4-phenylquinoline

Drug info:

PubChemData

Smile

CC1=CC2=NC=CC(=C2C(=C1C3=CN=CO3)C)C4=CC=CC=C4

DOS

IR

Vibrations