Geometry & MOs

Info

ID:	378467
PubChem CID:	134224549
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	24.82
Dipole, Da:	4.76
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3E,5E)-5-aminohepta-1,3,5-trien-4-yl]-4-(phenoxymethyl)benzamide

Drug info:

PubChemData

Smile

C=C/C=C(\C(=C/C=C)\NC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2)/N

DOS

IR

Vibrations