Geometry & MOs

Info

ID:	207706
PubChem CID:	80440473
Reduced:	FN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	297.17625
ΔH_f, kcal/mol:	-97.81
Dipole, Da:	6.08
IP(EA), eV:	-9.33(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-dimethyl-1-(2-propylsulfonylphenyl)pentan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(CC1=CC(=C(C=C1[N+](=O)[O-])F)OC)NC

DOS

IR

Vibrations