Geometry & MOs

Info

ID:	247624
PubChem CID:	103072448
Reduced:	N4O4C7H10 (1)
Stoich.:	A4B4C7D10 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	7.75
IP(EA), eV:	-10.07(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1CCCN)[N+](=O)[O-]

DOS

IR

Vibrations