Geometry & MOs

Info

ID:	247626
PubChem CID:	103072454
Reduced:	N4O4C11H14 (1)
Stoich.:	A4B4C11D14 (1)
Weight, g/mol:	268.117155
ΔH_f, kcal/mol:	-44.22
Dipole, Da:	7.79
IP(EA), eV:	-9.62(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(ethylaminomethyl)prop-2-enyl]-1-methyl-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C=C(C(=O)NC2=O)[N+](=O)[O-]

DOS

IR

Vibrations