Geometry & MOs

Info

ID:	383501
PubChem CID:	134975257
Reduced:	O4N5C13H19 (1)
Stoich.:	A4B5C13D19 (1)
Weight, g/mol:	393.142367
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	6.29
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis(2-hydroxyethoxymethyl)-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(N1)C(=O)N/C(=N/C(=O)OC(C)(C)C)/N

DOS

IR

Vibrations