Geometry & MOs

Info

ID:	198964
PubChem CID:	79180138
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	314.146427
ΔH_f, kcal/mol:	76.46
Dipole, Da:	3.46
IP(EA), eV:	-8.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=NC=C(N1C2=CC=CC=C2)CNC3=CC=CC=C3

DOS

IR

Vibrations