Geometry & MOs

Info

ID:	220749
PubChem CID:	85230841
Reduced:	OSN4C9H16 (1)
Stoich.:	ABC4D9E16 (1)
Weight, g/mol:	228.187801
ΔH_f, kcal/mol:	-9.01
Dipole, Da:	2.29
IP(EA), eV:	-9.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-2,4,7,7a-tetrahydro-1H-indene

Drug info:

PubChemData

Smile

CC(C)CC(C1=NC(=CS1)C(=O)NN)N

DOS

IR

Vibrations