Geometry & MOs

Info

ID:	199850
PubChem CID:	79307882
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	227.148556
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	3.66
IP(EA), eV:	-8.52(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-N-ethylpentan-3-amine

Drug info:

PubChemData

Smile

CCC(C(C)C1=CC(=CC=C1)OC)NCC

DOS

IR

Vibrations