Geometry & MOs

Info

ID:	217967
PubChem CID:	85088667
Reduced:	O7C23H28 (1)
Stoich.:	A7B23C28 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-235.72
Dipole, Da:	4.04
IP(EA), eV:	-8.37(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1C(C2=C(C(=C(C=C2CC1(C)O)OC)OC)OC)C3=CC4=C(C(=C3)OC)OCO4

DOS

IR

Vibrations