Geometry & MOs

Info

ID:	150674
PubChem CID:	53790368
Reduced:	NCl2O5H17C24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	233.221561
ΔH_f, kcal/mol:	-113.27
Dipole, Da:	6.76
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-aminobutylamino)methylamino]-3-(methylaminomethylamino)propan-2-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)OC2=CC(=CC(=C2)Cl)Cl)C3=C(OC(=C3O)C4=CC=CC=C4)N

DOS

IR

Vibrations