Geometry & MOs

Info

ID:	50912
PubChem CID:	12013505
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	234.104465
ΔH_f, kcal/mol:	-1.38
Dipole, Da:	3.39
IP(EA), eV:	-9.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](C1)C2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations