Geometry & MOs

Info

ID:	413486
PubChem CID:	135086435
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	228.154787
ΔH_f, kcal/mol:	25.27
Dipole, Da:	2.95
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7,7-trimethyl-3-propan-2-yloxybicyclo[2.2.1]heptane-2-thiol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/OC(=S)N(C)C)/C

DOS

IR

Vibrations