Geometry & MOs

Info

ID:	247564
PubChem CID:	103072253
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	197.080041
ΔH_f, kcal/mol:	67.11
Dipole, Da:	5.37
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C=CN=C1C2=CC=CS2

DOS

IR

Vibrations