Geometry & MOs

Info

ID:	423804
PubChem CID:	135120272
Reduced:	SN2O3C16H28 (1)
Stoich.:	AB2C3D16E28 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-118.0
Dipole, Da:	4.73
IP(EA), eV:	-8.76(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CCN(CCCS(=O)(=O)N(C)C)CCOC1=CC=CC(=C1)C

DOS

IR

Vibrations