Geometry & MOs

Info

ID:	247085
PubChem CID:	103067452
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-17.4
Dipole, Da:	9.36
IP(EA), eV:	-9.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(ethylaminomethyl)prop-2-enoxy]-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=C)CNC

DOS

IR

Vibrations