Geometry & MOs

Info

ID:	246209
PubChem CID:	103049712
Reduced:	ClFNC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	285.165956
ΔH_f, kcal/mol:	-66.92
Dipole, Da:	1.99
IP(EA), eV:	-8.86(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)(CC1=C(C=CC(=C1)Cl)F)CNCC

DOS

IR

Vibrations