Geometry & MOs

Info

ID:	16214
PubChem CID:	461773
Reduced:	ClON3C13H13 (2)
Stoich.:	ABC3D13E13 (2)
Weight, g/mol:	524.149429
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	7.37
IP(EA), eV:	-9.24(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN=C(N1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl.Cl

DOS

IR

Vibrations