Geometry & MOs

Info

ID:	247625
PubChem CID:	103072451
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	266.101505
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	7.94
IP(EA), eV:	-9.43(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)CN1C=C(C(=O)NC1=O)[N+](=O)[O-]

DOS

IR

Vibrations