Geometry & MOs

Info

ID:	429779
PubChem CID:	135169831
Reduced:	NF2H4C7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	513.140404
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	1.37
IP(EA), eV:	-9.47(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-3-N-[6-[4-(aminomethyl)triazol-2-yl]-5-chloropyridin-3-yl]-2-[N-quinolin-5-yl-C-(trifluoromethyl)carbonimidoyl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2F)N3C(=CC=N3)C(F)(F)F

DOS

IR

Vibrations