Geometry & MOs

Info

ID:	390811
PubChem CID:	135001066
Reduced:	O3C7H14 (1)
Stoich.:	A3B7C14 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	2.79
IP(EA), eV:	-9.49(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2,5-ditert-butyl-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCC[C@@H]1CC(OO1)(C)O

DOS

IR

Vibrations