Geometry & MOs

Info

ID:	314760
PubChem CID:	126623017
Reduced:	BrFOSN3C9H11 (1)
Stoich.:	ABCDE3F9G11 (1)
Weight, g/mol:	225.97418
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	3.95
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-1H-indazol-6-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)[C@@H]2C[C@H](CN2)F)Br

DOS

IR

Vibrations