Geometry & MOs

Info

ID:	390055
PubChem CID:	134996826
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	457.345698
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	5.27
IP(EA), eV:	-8.95(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C=CC2=C3C(=NN=C21)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations