Geometry & MOs

Info

ID:	326117
PubChem CID:	126686585
Reduced:	ClN5C22H28 (1)
Stoich.:	AB5C22D28 (1)
Weight, g/mol:	365.257946
ΔH_f, kcal/mol:	33.65
Dipole, Da:	5.76
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-benzimidazol-2-yl)-4-N-(2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine

Drug info:

PubChemData

Smile

C1C[C@@H](C2=NC(=C(C=C2C1)C[C@@H]3C[C@H]3CN)CC4=NC5=CC=CC=C5N4)N.Cl

DOS

IR

Vibrations