Geometry & MOs

Info

ID:	160028
PubChem CID:	57304398
Reduced:	SiO6C51H72 (1)
Stoich.:	AB6C51D72 (1)
Weight, g/mol:	163.074562
ΔH_f, kcal/mol:	-310.77
Dipole, Da:	4.57
IP(EA), eV:	-8.55(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2,3-dihydro-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCCO)O[Si](CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4)OC5CCCCO5)OC6CCCCO6

DOS

IR

Vibrations