Geometry & MOs

Info

ID:	254385
PubChem CID:	103124911
Reduced:	ClN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	300.066555
ΔH_f, kcal/mol:	9.29
Dipole, Da:	5.08
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations