Geometry & MOs

Info

ID:	392511
PubChem CID:	135016998
Reduced:	NO3H17C21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	357.136493
ΔH_f, kcal/mol:	17.43
Dipole, Da:	2.57
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-N-methoxy-C-[(E)-2-phenylethenyl]carbonimidoyl]phenyl] benzoate

Drug info:

PubChemData

Smile

CO/N=C(\C1=CC=CC=C1)/C2=CC=CC=C2OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations