Geometry & MOs

Info

ID:	326116
PubChem CID:	126686576
Reduced:	BrN3C13H22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	397.203324
ΔH_f, kcal/mol:	-12.85
Dipole, Da:	2.87
IP(EA), eV:	-9.36(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-3-[[(1S,2R)-2-(aminomethyl)cyclopropyl]methyl]-2-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrochloride

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)C(CCCN)N.Br

DOS

IR

Vibrations