Geometry & MOs

Info

ID:	402640
PubChem CID:	135056669
Reduced:	OC15H26 (1)
Stoich.:	AB15C26 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-77.25
Dipole, Da:	1.36
IP(EA), eV:	-9.46(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(1-methylpyrrol-2-yl)-3,3a,4,5,6,7-hexahydroindazole

Drug info:

PubChemData

Smile

CC1=CC(CCC1(/C=C/C(C)(C)C)O)(C)C

DOS

IR

Vibrations