Geometry & MOs

Info

ID:	188310
PubChem CID:	77696911
Reduced:	ON4C25H36 (1)
Stoich.:	AB4C25D36 (1)
Weight, g/mol:	391.254501
ΔH_f, kcal/mol:	-21.54
Dipole, Da:	3.66
IP(EA), eV:	-8.48(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-(dimethylamino)ethylsulfanyl]ethylidene]-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol

Drug info:

PubChemData

Smile

CCC1=CC(=C(N=C1C(C)C)CN)C2=NC3=C(C=C2CC)N(C=C3C)C(C)COC

DOS

IR

Vibrations