Geometry & MOs

Info

ID:	188718
PubChem CID:	77758578
Reduced:	FON4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	368.198759
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	6.82
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]furan-3-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1C2C(CN1)NNC2C3=C(C(=CC=C3)F)CC(=O)N

DOS

IR

Vibrations