Geometry & MOs

Info

ID:	81781
PubChem CID:	49855147
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	423.169525
ΔH_f, kcal/mol:	42.44
Dipole, Da:	3.6
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imidazol-1-yl-N-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenyl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations