Geometry & MOs

Info

ID:	26112
PubChem CID:	638986
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	450.313395
ΔH_f, kcal/mol:	-107.95
Dipole, Da:	3.35
IP(EA), eV:	-9.46(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7,9-tetratert-butyl-5H-benzo[d][1,3]benzodioxocin-11-one

Drug info:

PubChemData

Smile

CC1=CC[C@](C(=O)CC1)(C)CCCC(=O)C

DOS

IR

Vibrations