Geometry & MOs

Info

ID:	423694
PubChem CID:	135120029
Reduced:	NO5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-171.95
Dipole, Da:	1.96
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=C(C=CO2)C(=O)NCC3(CCOCC3)CO

DOS

IR

Vibrations