Geometry & MOs

Info

ID:	397875
PubChem CID:	135030888
Reduced:	SiO3C30H40 (1)
Stoich.:	AB3C30D40 (1)
Weight, g/mol:	277.121512
ΔH_f, kcal/mol:	-136.32
Dipole, Da:	2.21
IP(EA), eV:	-9.01(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2,4a,5,6-tetrahydrobenzo[h][1,2,4]benzotriazin-3-one

Drug info:

PubChemData

Smile

C[C@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@@H](CCCOCC3=CC=CC=C3)O

DOS

IR

Vibrations