Geometry & MOs

Info

ID:	202819
PubChem CID:	79731174
Reduced:	FN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	-116.87
Dipole, Da:	3.73
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-aminocyclohexyl)amino]-2,4-difluorobenzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)F)NC2CCNC2

DOS

IR

Vibrations