Geometry & MOs

Info

ID:	25669
PubChem CID:	628360
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-132.16
Dipole, Da:	4.56
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclohexyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)NC3=CC=CC(=C32)C(=O)OCC

DOS

IR

Vibrations