Geometry & MOs

Info

ID:	180450
PubChem CID:	76634555
Reduced:	NSO3C30H51 (1)
Stoich.:	ABC3D30E51 (1)
Weight, g/mol:	332.226392
ΔH_f, kcal/mol:	-206.95
Dipole, Da:	3.42
IP(EA), eV:	-9.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations