Geometry & MOs

Info

ID:	123500
PubChem CID:	50850642
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	272.035255
ΔH_f, kcal/mol:	-10.0
Dipole, Da:	5.47
IP(EA), eV:	-9.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[4-(nitrosomethylidene)cyclohexa-2,5-dien-1-ylidene]-3H-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)CC#N)C

DOS

IR

Vibrations