Geometry & MOs

Info

ID:	397118
PubChem CID:	135029756
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-6.2
Dipole, Da:	5.83
IP(EA), eV:	-9.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C3=CC(=CC(=C3N=N2)C)C

DOS

IR

Vibrations