Geometry & MOs

Info

ID:	178383
PubChem CID:	76319542
Reduced:	ClN2O7H27C28 (1)
Stoich.:	AB2C7D27E28 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-222.18
Dipole, Da:	4.14
IP(EA), eV:	-9.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(E)-1-(4-ethylphenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxy-N-methylacetamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C3CC(=O)N(C(=O)N3C4=CC=CO4)C5=CC=C(C=C5)Cl)OCC6=CC=CC=C6)C

DOS

IR

Vibrations