Geometry & MOs

Info

ID:	263630
PubChem CID:	103384675
Reduced:	OSN4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	295.110296
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	6.16
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-methyl-5-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC(N(C1)C2=C(C(=NS2)N)C(=O)N)C

DOS

IR

Vibrations