Geometry & MOs

Info

ID:	150104
PubChem CID:	53789790
Reduced:	O5H6C11 (1)
Stoich.:	A5B6C11 (1)
Weight, g/mol:	327.073432
ΔH_f, kcal/mol:	-101.71
Dipole, Da:	1.94
IP(EA), eV:	-10.66(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(6-chloropyridin-3-yl)methyl]-5-propanoyl-1,3,5-oxadiazinan-4-ylidene]nitramide

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1C=O)C=O)C=O)C=O)C=O

DOS

IR

Vibrations