Geometry & MOs

Info

ID:	217438
PubChem CID:	85087822
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	363.277344
ΔH_f, kcal/mol:	-41.91
Dipole, Da:	6.7
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-hexoxy-3,5-dimethoxyphenyl)-N,N-dimethylhex-5-en-1-amine

Drug info:

PubChemData

Smile

CNC(=S)C1(CCCCC1=CC=NOCC(CO)O)C2=CN=CC=C2

DOS

IR

Vibrations