Geometry & MOs

Info

ID:	200002
PubChem CID:	79330213
Reduced:	ClNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	255.119005
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	4.85
IP(EA), eV:	-8.37(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=CC1=CC(=C(C(=C1)Cl)OC)OC)CC

DOS

IR

Vibrations