Geometry & MOs

Info

ID:	12430
PubChem CID:	137477
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	3.67
IP(EA), eV:	-8.98(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(N1)C)C

DOS

IR

Vibrations