Geometry & MOs

Info

ID:	340536
PubChem CID:	127262547
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-8.67
Dipole, Da:	4.98
IP(EA), eV:	-9.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylpropyl 1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)COC(=O)C3=CNC=C3)N=CC=C2

DOS

IR

Vibrations