Geometry & MOs

Info

ID:	429609
PubChem CID:	135169658
Reduced:	ClOF3N8H22C25 (1)
Stoich.:	ABC3D8E22F25 (1)
Weight, g/mol:	543.10335
ΔH_f, kcal/mol:	-34.47
Dipole, Da:	6.89
IP(EA), eV:	-8.97(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[4-[hydroxy(methoxy)methyl]triazol-2-yl]phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN(N=C1)C2=C(C=C(C=N2)NC(=O)/C(=C/N)/C(=NC3=CC=CC4=C3C=CN=C4CC)C(F)(F)F)Cl

DOS

IR

Vibrations