Geometry & MOs

Info

ID:	293527
PubChem CID:	117392400
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	2.72
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclobutan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2(CCC2)CN)Cl)OC

DOS

IR

Vibrations