Geometry & MOs

Info

ID:	249879
PubChem CID:	103092617
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	29.32
Dipole, Da:	2.67
IP(EA), eV:	-9.07(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[(E)-3-(propylamino)but-1-enyl]benzonitrile

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CN=CC=C1

DOS

IR

Vibrations