Geometry & MOs

Info

ID:	396287
PubChem CID:	135027930
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	8.02
Dipole, Da:	0.35
IP(EA), eV:	-7.74(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[benzyl(prop-2-enyl)amino]methylidene]hex-5-en-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC[N+](=[C-]2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations