Geometry & MOs

Info

ID:	58562
PubChem CID:	24702315
Reduced:	BrNOH10C12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	257.062283
ΔH_f, kcal/mol:	22.69
Dipole, Da:	2.14
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamothioylphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=CC=NC=C2)Br

DOS

IR

Vibrations