Geometry & MOs

Info

ID:	403905
PubChem CID:	135062503
Reduced:	FO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	377.199094
ΔH_f, kcal/mol:	-138.91
Dipole, Da:	1.05
IP(EA), eV:	-9.89(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2Z,2aS,7bR)-2a,7b-dimethyl-2-(phenoxymethylidene)-1H-cyclobuta[b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@@H]([C@@H]1[C@H]([C@H]1F)OC)O

DOS

IR

Vibrations