Geometry & MOs

Info

ID:	423605
PubChem CID:	135119834
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	3.78
IP(EA), eV:	-8.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC(CC1)NC2=NC3=CC(=C(C=C3C(=C2)C)OC)OC

DOS

IR

Vibrations