Geometry & MOs

Info

ID:	273100
PubChem CID:	103770491
Reduced:	ClNF2O3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	218.086684
ΔH_f, kcal/mol:	-232.23
Dipole, Da:	3.54
IP(EA), eV:	-9.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC(C(F)F)O)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations