Geometry & MOs

Info

ID:	265916
PubChem CID:	103556445
Reduced:	BrClNOSC13H19 (1)
Stoich.:	ABCDEF13G19 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-20.22
Dipole, Da:	1.94
IP(EA), eV:	-9.27(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1(CCC1)OC)C2=CC(=C(S2)Br)Cl

DOS

IR

Vibrations