Geometry & MOs

Info

ID:	48932
PubChem CID:	11528491
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	4.55
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1E)-buta-1,3-dienyl]-1,2-dimethoxybenzene

Drug info:

PubChemData

Smile

COC1=C(NC2=CC=CC=C21)C(=O)N

DOS

IR

Vibrations