Geometry & MOs

Info

ID:	259927
PubChem CID:	103177616
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	313.144471
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	4.44
IP(EA), eV:	-9.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-chloro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

COCCCOCCOCC1=C(C=C(C=C1)C#N)Cl

DOS

IR

Vibrations