Geometry & MOs

Info

ID:	429710
PubChem CID:	135169761
Reduced:	O2F3N4H11C13 (1)
Stoich.:	A2B3C4D11E13 (1)
Weight, g/mol:	492.13824
ΔH_f, kcal/mol:	-159.06
Dipole, Da:	5.65
IP(EA), eV:	-9.04(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(methylideneamino)methyl]-6-(triazol-2-yl)pyridin-3-yl]-1-(1,6-naphthyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C(=N1)C=CC=C2/N=C(/C(=C\N)/C(=O)O)\C(F)(F)F

DOS

IR

Vibrations