Geometry & MOs

Info

ID:	179128
PubChem CID:	76439798
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	5.67
IP(EA), eV:	-9.42(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methyl]-5-methyl-3-methylidenepyridin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N3CCC4C(C3)CCC(=O)N4CCCO

DOS

IR

Vibrations