Geometry & MOs

Info

ID:	141890
PubChem CID:	52947213
Reduced:	ClNO4C13H19 (2)
Stoich.:	ABC4D13E19 (2)
Weight, g/mol:	367.250274
ΔH_f, kcal/mol:	-343.3
Dipole, Da:	3.64
IP(EA), eV:	-8.7(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[3-(4,5-dihydro-3H-1-benzazepin-2-ylamino)propylamino]propyl]propane-1,3-diamine;hydrochloride

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H](C(O1)N(CCCC2=CC=C(C=C2)N(CCCl)CCCl)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations