Geometry & MOs

Info

ID:	271745
PubChem CID:	103690482
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	272.048318
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	7.22
IP(EA), eV:	-10.3(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-(2-cyclopropylpropan-2-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1CC1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations