Geometry & MOs

Info

ID:	272830
PubChem CID:	103760649
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	4.1
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCCCN(CC1=C(C=CC(=C1)F)C#N)CC(=O)N

DOS

IR

Vibrations