Geometry & MOs

Info

ID:	277370
PubChem CID:	103828118
Reduced:	BrN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	307.035983
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	3.19
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-hydroxy-4-methylphenyl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)Br)O

DOS

IR

Vibrations