Geometry & MOs

Info

ID:	220988
PubChem CID:	85248137
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	255.083019
ΔH_f, kcal/mol:	-64.69
Dipole, Da:	5.0
IP(EA), eV:	-8.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyano-(3-methyl-1,3-thiazinan-2-ylidene)methyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=CC1=O)C3=C(C=C2)OC4CCCC3C4

DOS

IR

Vibrations