Geometry & MOs

Info

ID:	55157
PubChem CID:	17389835
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	5.5
IP(EA), eV:	-9.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-formylpyrrol-1-yl)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)O)N1C=CC=C1C=O

DOS

IR

Vibrations