Geometry & MOs

Info

ID:	37493
PubChem CID:	8021572
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	367.996677
ΔH_f, kcal/mol:	-98.0
Dipole, Da:	5.51
IP(EA), eV:	-9.2(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C)C)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations