Geometry & MOs

Info

ID:	143119
PubChem CID:	53149847
Reduced:	FON3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	337.135718
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	4.43
IP(EA), eV:	-8.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCN(C)C)C)C(=O)NCC2=CC=CC=C2F

DOS

IR

Vibrations