Geometry & MOs

Info

ID:	249690
PubChem CID:	103091386
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-97.86
Dipole, Da:	5.99
IP(EA), eV:	-9.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-3-aminobut-1-enyl]-2-methoxyphenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=C(C(=C1)Cl)OCC(=O)N)OC)N

DOS

IR

Vibrations