Geometry & MOs

Info

ID:	148345
PubChem CID:	53788007
Reduced:	OSN2F3C23H25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	-143.63
Dipole, Da:	1.83
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethoxy-2-methoxyethoxy)-8-propan-2-ylbenzo[a]azulene

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CC=CC2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations