Geometry & MOs

Info

ID:	410233
PubChem CID:	135083024
Reduced:	AlClCrO3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	220.059942
ΔH_f, kcal/mol:	-152.04
Dipole, Da:	2.06
IP(EA), eV:	-7.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9bS)-2-chloro-1,3,3a,4,5,9b-hexahydrobenzo[e][2]benzalumole

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CC2=CC=CC=C2[C@@H]3[C@H]1C[Al](C3)Cl.[Cr]

DOS

IR

Vibrations