Geometry & MOs

Info

ID:	234312
PubChem CID:	92298150
Reduced:	NO9C15H19 (1)
Stoich.:	AB9C15D19 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-261.71
Dipole, Da:	6.16
IP(EA), eV:	-9.14(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-hydroxy-4-methylphenyl)-3-phenylbutanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O

DOS

IR

Vibrations