Geometry & MOs

Info

ID:	340530
PubChem CID:	127262541
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	4.82
IP(EA), eV:	-9.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxyphenyl)ethyl 1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C#N)COC(=O)C2=CC=CN2

DOS

IR

Vibrations