Geometry & MOs

Info

ID:	247524
PubChem CID:	103072084
Reduced:	BrN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	6.89
IP(EA), eV:	-9.28(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholine-3,5-dione

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C=C(C=C(C1=O)[N+](=O)[O-])Br

DOS

IR

Vibrations