Geometry & MOs

Info

ID:	247522
PubChem CID:	103072059
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	274.99055
ΔH_f, kcal/mol:	45.46
Dipole, Da:	3.18
IP(EA), eV:	-8.78(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropyl)-5-bromo-3-nitropyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)CC(=C)CNC2CC2)C

DOS

IR

Vibrations