Geometry & MOs

Info

ID:	293045
PubChem CID:	117371683
Reduced:	NOSC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-27.78
Dipole, Da:	3.31
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC(=O)CC1=CC2=C(C=C1)SC(=N2)C(C)(C)C

DOS

IR

Vibrations