Geometry & MOs

Info

ID:	169440
PubChem CID:	75104474
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	587.192691
ΔH_f, kcal/mol:	-72.88
Dipole, Da:	6.01
IP(EA), eV:	-9.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]hexanamide;dihydrochloride

Drug info:

PubChemData

Smile

CCC(=CC(C)C)C=CC1CC=CC(=O)O1

DOS

IR

Vibrations