Geometry & MOs

Info

ID:	287959
PubChem CID:	104302387
Reduced:	ClSN2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	236.096793
ΔH_f, kcal/mol:	57.21
Dipole, Da:	5.31
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chloro-3-methylphenyl)bicyclo[4.1.0]heptan-7-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=C(S2)C#N)N)Cl

DOS

IR

Vibrations