Geometry & MOs

Info

ID:	264440
PubChem CID:	103461888
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	3.95
IP(EA), eV:	-9.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylbutyl)-5-hydroxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations