Geometry & MOs

Info

ID:	448468
PubChem CID:	135291153
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	371.163377
ΔH_f, kcal/mol:	24.51
Dipole, Da:	6.07
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(3,5-dimethoxyphenyl)ethenyl]-3-(1-methylpyrazol-4-yl)quinoline

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=CC3=C2)CC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations