Geometry & MOs

Info

ID:	448467
PubChem CID:	135291152
Reduced:	SO4N6C29H34 (1)
Stoich.:	AB4C6D29E34 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-16.02
Dipole, Da:	6.1
IP(EA), eV:	-8.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C1=C(C=CC(=C1)N(CC2=NC=CN2S(=O)(=O)N(C)C)C3=CC(=CC(=C3)OC)OC)N=C)/C4=CN(C=C4)C

DOS

IR

Vibrations