Geometry & MOs

Info

ID:	144386
PubChem CID:	53359408
Reduced:	N2O6C9H12 (1)
Stoich.:	A2B6C9D12 (1)
Weight, g/mol:	513.252861
ΔH_f, kcal/mol:	-193.09
Dipole, Da:	3.25
IP(EA), eV:	-10.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzyl-3-(1-benzylimidazol-4-yl)-N-[(E)-3-(1-benzylimidazol-4-yl)prop-2-enyl]prop-2-enamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NO[C@H]([C@H]1C(=O)OC)C(=O)OC

DOS

IR

Vibrations