Geometry & MOs

Info

ID:	203716
PubChem CID:	79861796
Reduced:	NOC17H33 (1)
Stoich.:	ABC17D33 (1)
Weight, g/mol:	261.155121
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	1.94
IP(EA), eV:	-8.56(2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine

Drug info:

PubChemData

Smile

CC(C)COC1CC(C1(C)C)NC2CCCC2(C)C

DOS

IR

Vibrations