Geometry & MOs

Info

ID:	408927
PubChem CID:	135081699
Reduced:	BC16H31 (1)
Stoich.:	AB16C31 (1)
Weight, g/mol:	274.085461
ΔH_f, kcal/mol:	-75.9
Dipole, Da:	0.11
IP(EA), eV:	-9.24(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyanato-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

B1(CCC[C@@H]2[C@@H]1CCCCC2)C(C)(C)C(C)C

DOS

IR

Vibrations