Geometry & MOs

Info

ID:	192583
PubChem CID:	78287453
Reduced:	N2F3O4C17H17 (1)
Stoich.:	A2B3C4D17E17 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-283.74
Dipole, Da:	7.35
IP(EA), eV:	-9.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(C)O)C)C(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations