Geometry & MOs

Info

ID:	339202
PubChem CID:	127260581
Reduced:	ClN2O4C17H29 (1)
Stoich.:	AB2C4D17E29 (1)
Weight, g/mol:	539.160328
ΔH_f, kcal/mol:	-207.44
Dipole, Da:	4.51
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide;dihydrochloride

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)NCCCN(CCO)CCO.Cl

DOS

IR

Vibrations