Geometry & MOs

Info

ID:	177402
PubChem CID:	76181435
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	348.108814
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	3.65
IP(EA), eV:	-9.07(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(5,7,8-trihydroxy-2a-methyl-4-oxo-2,6,7,8,8a,8b-hexahydroisochromeno[4,3-b]azet-1-yl)propan-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

C1CC1COC2=CC=CC(=C2)C3C(C4CCC(CC4NC3=O)Cl)O

DOS

IR

Vibrations