Geometry & MOs

Info

ID:	247627
PubChem CID:	103072457
Reduced:	N4O4C11H16 (1)
Stoich.:	A4B4C11D16 (1)
Weight, g/mol:	268.117155
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	6.25
IP(EA), eV:	-8.91(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(methylaminomethyl)prop-2-enyl]-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C(=O)C(=CN(C1=O)C)[N+](=O)[O-]

DOS

IR

Vibrations