Geometry & MOs

Info

ID:	249872
PubChem CID:	103092590
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-62.23
Dipole, Da:	1.42
IP(EA), eV:	-8.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[(E)-3-(propylamino)but-1-enyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC2=C(C(=C1)Cl)OCCO2

DOS

IR

Vibrations