Geometry & MOs

Info

ID:	283786
PubChem CID:	104007681
Reduced:	BrN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-112.09
Dipole, Da:	3.72
IP(EA), eV:	-10.19(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-hydroxyethoxy)propyl]-3-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)NCCCOCCO

DOS

IR

Vibrations