Geometry & MOs

Info

ID:	141860
PubChem CID:	52939986
Reduced:	BNO4C9H12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	413.255753
ΔH_f, kcal/mol:	-208.0
Dipole, Da:	5.29
IP(EA), eV:	-9.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-1-(3-aminopropylamino)-4-[3-(4,5-dihydro-3H-1-benzazepin-2-ylamino)propylamino]butane-2,3-diol;hydrochloride

Drug info:

PubChemData

Smile

B(CNC(=O)COC1=CC=CC=C1)(O)O

DOS

IR

Vibrations