Geometry & MOs

Info

ID:	163584
PubChem CID:	58047643
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	148.100048
ΔH_f, kcal/mol:	-119.46
Dipole, Da:	5.65
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2,3-dihydro-1H-indazole

Drug info:

PubChemData

Smile

COCOC1=CC=C(C=C1)CCC2=CC(=C(C=C2)C=O)O

DOS

IR

Vibrations