Geometry & MOs

Info

ID:	317466
PubChem CID:	126638244
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	360.12224
ΔH_f, kcal/mol:	-98.8
Dipole, Da:	3.52
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indazol-5-yl)-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2(CCCCC2)OC3=C1C=CN=C3)/C=C(\C)/C(=O)OC

DOS

IR

Vibrations