Geometry & MOs

Info

ID:	404521
PubChem CID:	135066584
Reduced:	OC18H22 (1)
Stoich.:	AB18C22 (1)
Weight, g/mol:	240.070578
ΔH_f, kcal/mol:	121.2
Dipole, Da:	1.35
IP(EA), eV:	-9.85(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,1aS,6aS)-4-chloro-1-phenyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene

Drug info:

PubChemData

Smile

C1CC1(C2C3(C24C5(C46CC6)CC5)C7(C38CC8)CC7)O

DOS

IR

Vibrations