Geometry & MOs

Info

ID:	429569
PubChem CID:	135169618
Reduced:	O2F3N6H19C24 (1)
Stoich.:	A2B3C6D19E24 (1)
Weight, g/mol:	480.13824
ΔH_f, kcal/mol:	-60.34
Dipole, Da:	2.78
IP(EA), eV:	-8.75(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-amino-1-(2-aminophenyl)ethenyl]-N-[5-cyano-6-(triazol-2-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN=CC1=C(N=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC4=C3C=CC=N4)C(F)(F)F)OC5CC5

DOS

IR

Vibrations