Geometry & MOs

Info

ID:	380075
PubChem CID:	134964891
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	5.19
IP(EA), eV:	-9.11(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-methylpyrrol-1-yl)benzoate

Drug info:

PubChemData

Smile

CCCCC(=O)C(CC#N)C1=CC=C(C=C1)OC

DOS

IR

Vibrations