Geometry & MOs

Info

ID:	429892
PubChem CID:	135169946
Reduced:	ClOF3N7H17C23 (1)
Stoich.:	ABC3D7E17F23 (1)
Weight, g/mol:	511.077135
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	9.22
IP(EA), eV:	-9.23(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(4-formyltriazol-2-yl)phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=NN1C2=C(C=C(C=C2)NC(=O)/C(=C/N)/C(=NC3=CC=CC4=C3C=NC=C4)C(F)(F)F)Cl

DOS

IR

Vibrations