Geometry & MOs

Info

ID:	141842
PubChem CID:	52936630
Reduced:	F3O3N4C21H21 (1)
Stoich.:	A3B3C4D21E21 (1)
Weight, g/mol:	336.281701
ΔH_f, kcal/mol:	-173.06
Dipole, Da:	8.63
IP(EA), eV:	-8.45(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-hexyl-6a-pent-1-en-2-yl-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalene

Drug info:

PubChemData

Smile

CN(CCOC)C1=NC=C(C=C1)N(C)C(=O)C2=C(OC(=N2)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations