Geometry & MOs

Info

ID:	25314
PubChem CID:	622713
Reduced:	NC20H29 (1)
Stoich.:	AB20C29 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	1.99
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCC1=CN=C2C(=C1)C=C(C=C2CCC)CCC

DOS

IR

Vibrations