Geometry & MOs

Info

ID:	178735
PubChem CID:	76372962
Reduced:	ClF2O4N5H18C22 (1)
Stoich.:	AB2C4D5E18F22 (1)
Weight, g/mol:	454.11167
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	2.49
IP(EA), eV:	-9.28(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-aminocyclohexyl)amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C2=NC=C(C(=N2)C(=O)NC3=C(C=CN=C3)C4=CC(C(C(O4)CCl)O)O)N)F

DOS

IR

Vibrations