Geometry & MOs

Info

ID:	430016
PubChem CID:	135170073
Reduced:	ON5H13C20 (1)
Stoich.:	AB5C13D20 (1)
Weight, g/mol:	334.10842
ΔH_f, kcal/mol:	114.77
Dipole, Da:	7.35
IP(EA), eV:	-8.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-5-amino-5-[3-(4-chlorophenyl)morpholin-4-yl]-2-ethenylpenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=CN=C3C4=C(C5=C(C3=O)C=CC=N5)N=CC=C4)N2

DOS

IR

Vibrations