Geometry & MOs

Info

ID:	159239
PubChem CID:	57265697
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	5.04
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-ethyl-2-(2-methylanilino)pyrrol-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1CC(=O)C2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)OC)O2)N(CC4)C#N

DOS

IR

Vibrations