Geometry & MOs

Info

ID:	56773
PubChem CID:	22389622
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	4.54
IP(EA), eV:	-8.0(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations