Geometry & MOs

Info

ID:	175954
PubChem CID:	75973449
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	8.0
IP(EA), eV:	-9.49(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentylamino)-4a,5,6,7,8,8a-hexahydrothiochromen-4-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(C(=O)N=C2C=C1C)C(=O)NC3CCCC3

DOS

IR

Vibrations