Geometry & MOs

Info

ID:	143118
PubChem CID:	53149722
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	317.190341
ΔH_f, kcal/mol:	50.48
Dipole, Da:	2.48
IP(EA), eV:	-9.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)C3=CN=CC=C3

DOS

IR

Vibrations