Geometry & MOs

Info

ID:	28050
PubChem CID:	825318
Reduced:	O2H14C17 (1)
Stoich.:	A2B14C17 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	3.52
IP(EA), eV:	-9.01(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-2,5-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations