Geometry & MOs

Info

ID:	37169
PubChem CID:	8017864
Reduced:	ClN3O5H10C14 (1)
Stoich.:	AB3C5D10E14 (1)
Weight, g/mol:	305.045486
ΔH_f, kcal/mol:	-69.61
Dipole, Da:	4.43
IP(EA), eV:	-9.97(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxycarbonylphenyl)methyl 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations