Geometry & MOs

Info

ID:	204621
PubChem CID:	79989241
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	227.134385
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	3.34
IP(EA), eV:	-9.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-methoxy-1-(3-methylthiophen-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(C1=NOC(=N1)CC23CC4CC(C2)CC(C4)C3)N

DOS

IR

Vibrations