Geometry & MOs

Info

ID:	429605
PubChem CID:	135169654
Reduced:	ClOF3N8H16C22 (1)
Stoich.:	ABC3D8E16F22 (1)
Weight, g/mol:	213.078123
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	7.08
IP(EA), eV:	-9.17(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[amino-[(Z)-2-aminoprop-1-enyl]amino]-5-chloropyridin-3-amine

Drug info:

PubChemData

Smile

CC1=NN(N=C1)C2=C(C=C(C=N2)NC(=O)/C(=C/N)/C(=NC3=CC=CC4=C3C=CC=N4)C(F)(F)F)Cl

DOS

IR

Vibrations