Geometry & MOs

Info

ID:	260803
PubChem CID:	103204896
Reduced:	SN5H9C12 (1)
Stoich.:	AB5C9D12 (1)
Weight, g/mol:	252.101111
ΔH_f, kcal/mol:	123.32
Dipole, Da:	4.79
IP(EA), eV:	-8.89(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,2,4-benzotriazin-3-yloxy)phenyl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N=N2)SC3=C(C=NC=C3)N

DOS

IR

Vibrations