Geometry & MOs

Info

ID:	55512
PubChem CID:	17395487
Reduced:	O4N5C17H19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	295.095691
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	6.01
IP(EA), eV:	-8.82(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

DOS

IR

Vibrations