Geometry & MOs

Info

ID:	254931
PubChem CID:	103128741
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	306.032668
ΔH_f, kcal/mol:	-17.06
Dipole, Da:	1.58
IP(EA), eV:	-8.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dichlorophenyl)-(1-methylindazol-3-yl)methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2=C3C=NC=CN3N=C2)O)OC

DOS

IR

Vibrations