Geometry & MOs

Info

ID:	386915
PubChem CID:	134983350
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	444.164478
ΔH_f, kcal/mol:	-77.24
Dipole, Da:	2.91
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-3-chloro-1,2-bis(4-methylphenyl)-8-phenyl-1,2-dihydrocyclobuta[b]naphthalene

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC[C@H]3[C@]2(CCC3=O)O

DOS

IR

Vibrations