Geometry & MOs

Info

ID:	294618
PubChem CID:	117474399
Reduced:	BrNOF2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	293.05276
ΔH_f, kcal/mol:	-112.77
Dipole, Da:	2.05
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2H-indazol-4-yl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(CCN)C1=CC(=C(C(=C1F)OC)F)Br

DOS

IR

Vibrations