Geometry & MOs

Info

ID:	46233
PubChem CID:	10523444
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	-203.93
Dipole, Da:	2.85
IP(EA), eV:	-8.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-[2-methyl-5-(3-phenylpropanoylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2[C@H](C3=C(O2)C(=CC(=C3)CCCO)OC)CO)OC

DOS

IR

Vibrations