Geometry & MOs

Info

ID:	55159
PubChem CID:	17389837
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	229.073893
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	4.99
IP(EA), eV:	-9.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-formylpyrrol-1-yl)-2-phenylacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations