Geometry & MOs

Info

ID:	27808
PubChem CID:	823687
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	211.095691
ΔH_f, kcal/mol:	19.78
Dipole, Da:	3.63
IP(EA), eV:	-9.42(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aS,7S,8aR)-6-hydroxy-7-methyl-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-8a-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations