Geometry & MOs

Info

ID:	443291
PubChem CID:	135258421
Reduced:	N2O3C9H10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	228.03017
ΔH_f, kcal/mol:	-70.5
Dipole, Da:	3.7
IP(EA), eV:	-10.28(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(Z)-C-chloro-N-(hydroxymethyl)carbonimidoyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C(C=C1)/C=N/CO

DOS

IR

Vibrations