Geometry & MOs

Info

ID:	395515
PubChem CID:	135025686
Reduced:	NO6C19H31 (1)
Stoich.:	AB6C19D31 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-275.83
Dipole, Da:	2.13
IP(EA), eV:	-9.8(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,2,4-benzotriazin-3-ylmethoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC[C@H]([C@H]1CCC[C@@H]2N1C(=O)CCC3[C@H]2CC(=O)O3)OCOCCOC

DOS

IR

Vibrations