Geometry & MOs

Info

ID:	280778
PubChem CID:	103851221
Reduced:	FNC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-91.51
Dipole, Da:	5.24
IP(EA), eV:	-8.88(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-methoxyphenyl)propylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)C(CNCC1=CC(=CC(=C1)F)F)N2CCCC2

DOS

IR

Vibrations