Geometry & MOs

Info

ID:	340537
PubChem CID:	127262548
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-46.85
Dipole, Da:	3.37
IP(EA), eV:	-9.47(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-formyl-4-methylphenyl)methyl 1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)OC(=O)C2=CNC=C2

DOS

IR

Vibrations