Geometry & MOs

Info

ID:	375875
PubChem CID:	134221869
Reduced:	OF3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	209.164046
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	6.26
IP(EA), eV:	-9.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-4-[(5-methyltriazol-1-yl)methyl]diazinane

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)C)C(/C=C/C2=CC(=C(C=C2)C=O)C)C(F)(F)F

DOS

IR

Vibrations