Geometry & MOs

Info

ID:	342319
PubChem CID:	127265096
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	3.03
IP(EA), eV:	-8.67(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CCC(=O)N2CCC3=C(C2)C=C(C=C3)O

DOS

IR

Vibrations