Geometry & MOs

Info

ID:	390812
PubChem CID:	135001100
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	8.52
IP(EA), eV:	-8.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N/C(=C/3\C=C(C(=O)C=C3C(C)(C)C)C(C)(C)C)/O2

DOS

IR

Vibrations