Geometry & MOs

Info

ID:	430020
PubChem CID:	135170077
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-64.18
Dipole, Da:	4.97
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-5-amino-2-ethenyl-5-[(3S)-3-phenylmorpholin-4-yl]penta-2,4-dienoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=N2)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations