Geometry & MOs

Info

ID:	265941
PubChem CID:	103556884
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	1.93
IP(EA), eV:	-8.83(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine

Drug info:

PubChemData

Smile

COC1(CCC1)CC(CC2=CSC=C2)N

DOS

IR

Vibrations