Geometry & MOs

Info

ID:	395916
PubChem CID:	135026889
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	445.136117
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	3.15
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-quinolin-2-ylethyl]propanedinitrile

Drug info:

PubChemData

Smile

CON(C1=CC=CC=C1)C(=O)C2CCCCC2

DOS

IR

Vibrations