Geometry & MOs

Info

ID:	12233
PubChem CID:	133176
Reduced:	NOC10H18 (1)
Stoich.:	ABC10D18 (1)
Weight, g/mol:	168.138839
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750919
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[(3-methyl-4-oxocyclopent-2-en-1-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(CC1=O)C[N+](C)(C)C

DOS

IR

Vibrations