Geometry & MOs

Info

ID:	272696
PubChem CID:	103751859
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	242.00548
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	6.11
IP(EA), eV:	-9.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1=CC(=NC=C1)Br

DOS

IR

Vibrations