Geometry & MOs

Info

ID:	37514
PubChem CID:	8021737
Reduced:	Cl2N2O3H14C18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	355.037813
ΔH_f, kcal/mol:	-69.33
Dipole, Da:	7.35
IP(EA), eV:	-9.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethoxy-2-methylphenyl)methyl 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)C3=CC(=C(N=C3)Cl)Cl

DOS

IR

Vibrations