Geometry & MOs

Info

ID:	31941
PubChem CID:	3724271
Reduced:	OCl2N5H13C20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	298.12772
ΔH_f, kcal/mol:	94.99
Dipole, Da:	9.45
IP(EA), eV:	-8.9(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-7,7-dimethyl-8-nitroso-4-oxido-1,2,3,5-tetrahydropyrano[3,4-b]pyrazin-4-ium-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC4=C(C=CC(=C4)Cl)Cl)C#N

DOS

IR

Vibrations