Geometry & MOs

Info

ID:	36463
PubChem CID:	8007119
Reduced:	ClNOH7C8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	304.097855
ΔH_f, kcal/mol:	-17.01
Dipole, Da:	3.21
IP(EA), eV:	-8.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4,6-dimethylphenyl)-2-ethoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2CC(=C3C=C(C=CC3=O)Cl)NN2)Cl

DOS

IR

Vibrations