Geometry & MOs

Info

ID:	429809
PubChem CID:	135169862
Reduced:	N4F6H24C25 (1)
Stoich.:	A4B6C24D25 (1)
Weight, g/mol:	291.061946
ΔH_f, kcal/mol:	-196.8
Dipole, Da:	3.52
IP(EA), eV:	-8.45(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C/C=C/C(=C\C(=C/C)\NC(=C)/C(=C/N)/C(=NC1=CN=C(C2=CC=CC=C21)C(C)(F)F)C(F)(F)F)/F

DOS

IR

Vibrations