Geometry & MOs

Info

ID:	145771
PubChem CID:	53590751
Reduced:	SO3N4C13H24 (1)
Stoich.:	AB3C4D13E24 (1)
Weight, g/mol:	315.174691
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	5.99
IP(EA), eV:	-8.8(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCCN(CC2)CCCS(=O)(=O)C

DOS

IR

Vibrations