Geometry & MOs

Info

ID:	245892
PubChem CID:	103025897
Reduced:	ClFN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	303.11567
ΔH_f, kcal/mol:	19.64
Dipole, Da:	3.8
IP(EA), eV:	-8.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dichlorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(C2=C(C(=CC=C2)Cl)F)NN

DOS

IR

Vibrations