Geometry & MOs

Info

ID:	433663
PubChem CID:	135173803
Reduced:	OSN7C36H39 (1)
Stoich.:	ABC7D36E39 (1)
Weight, g/mol:	172.128572
ΔH_f, kcal/mol:	92.36
Dipole, Da:	6.81
IP(EA), eV:	-8.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-propylcyclopentane-1-thiol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CN(C3)C(=O)CN(C)C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations