Geometry & MOs

Info

ID:	228403
PubChem CID:	87564229
Reduced:	ClNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	381.187254
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	3.36
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pyridin-4-ylethyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)CC=O)Cl

DOS

IR

Vibrations