Geometry & MOs

Info

ID:	254952
PubChem CID:	103128861
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-2.24
Dipole, Da:	4.97
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylcyclohexyl)-(1-methylindazol-3-yl)methanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CC(C2=C3C=CC=CN3N=C2)O

DOS

IR

Vibrations