Geometry & MOs

Info

ID:	56774
PubChem CID:	22389623
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	3.34
IP(EA), eV:	-7.94(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzylamino)-3-(2,4-diaminophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCC(COC2=C(C=C(C=C2)N)N)O

DOS

IR

Vibrations