Geometry & MOs

Info

ID:	276842
PubChem CID:	103825442
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	272.01604
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	5.64
IP(EA), eV:	-9.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-hydroxybutan-2-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)NC(C)CCO

DOS

IR

Vibrations