Geometry & MOs

Info

ID:	161831
PubChem CID:	57392804
Reduced:	N3O3F7H28C30 (1)
Stoich.:	A3B3C7D28E30 (1)
Weight, g/mol:	267.968544
ΔH_f, kcal/mol:	-444.13
Dipole, Da:	1.55
IP(EA), eV:	-9.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-N-(diaminomethylidene)pyridine-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4CNC(=O)C4CO

DOS

IR

Vibrations