Geometry & MOs

Info

ID:	394722
PubChem CID:	135023636
Reduced:	ClNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	360.248457
ΔH_f, kcal/mol:	23.54
Dipole, Da:	3.0
IP(EA), eV:	-8.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,3a,4,6,7,8,9-octahydrobenzo[f]azulen-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations