Geometry & MOs

Info

ID:	389682
PubChem CID:	134994438
Reduced:	NOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	170.080376
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	3.59
IP(EA), eV:	-9.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,7aS)-2-amino-7-hydroxy-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1CC2NC(=O)C3=CC=CS3

DOS

IR

Vibrations