Geometry & MOs

Info

ID:	182333
PubChem CID:	76876119
Reduced:	BrNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	290.082205
ΔH_f, kcal/mol:	-21.17
Dipole, Da:	4.0
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chlorophenyl)propyl]-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)NCC2=CC(=CC=C2)Br

DOS

IR

Vibrations