Geometry & MOs

Info

ID:	282141
PubChem CID:	103916894
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	302.020668
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	2.57
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-cyanophenyl)-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(N(C1)C(=O)C2=NC(=CC=C2)Br)C

DOS

IR

Vibrations