Geometry & MOs

Info

ID:	42004
PubChem CID:	8148129
Reduced:	OSN3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-13.18
Dipole, Da:	3.86
IP(EA), eV:	-8.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(Z)-benzylideneamino]oxy-N-(2-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)CC(C)C)NCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations