Geometry & MOs

Info

ID:	429963
PubChem CID:	135170018
Reduced:	FN3H14C17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	498.129505
ΔH_f, kcal/mol:	36.23
Dipole, Da:	3.88
IP(EA), eV:	-9.28(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-3-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-2-[N-(2-methylidene-1H-quinolin-4-yl)-C-(trifluoromethyl)carbonimidoyl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C3=CC=CC=C3)F)C

DOS

IR

Vibrations