Geometry & MOs

Info

ID:	397585
PubChem CID:	135030424
Reduced:	SN2O2C23H34 (1)
Stoich.:	AB2C2D23E34 (1)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	-110.84
Dipole, Da:	1.97
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butyltetrazol-5-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1C2(CCSCC2)C3=CC=CC=C3N1C(=O)C(C)(C)C

DOS

IR

Vibrations