Geometry & MOs

Info

ID:	247733
PubChem CID:	103073013
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	210.07529
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	4.3
IP(EA), eV:	-9.11(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)prop-2-enyl]-5-nitropyrimidin-2-one

Drug info:

PubChemData

Smile

CC1CCCN(C1=O)CC(=C)CNC2CC2

DOS

IR

Vibrations