Geometry & MOs

Info

ID:	247748
PubChem CID:	103073122
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	284.05243
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	2.73
IP(EA), eV:	-8.83(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-[2-(propylaminomethyl)prop-2-enyl]pyridin-2-one

Drug info:

PubChemData

Smile

CCC1CC2C(C1)C(=O)N(C2=O)CC(=C)CNC(C)(C)C

DOS

IR

Vibrations