Geometry & MOs

Info

ID:	148536
PubChem CID:	53788201
Reduced:	ClSN4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	318.328651
ΔH_f, kcal/mol:	76.2
Dipole, Da:	6.05
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,5,6-hexamethyl-6-(2,3,4,5-tetramethylcyclopentyl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene

Drug info:

PubChemData

Smile

CCC(CC1=C(C=CS1)Cl)NC2=C3C(=NC=C2)N=CN3

DOS

IR

Vibrations