Geometry & MOs

Info

ID:	138678
PubChem CID:	52406975
Reduced:	ClFON4C21H28 (1)
Stoich.:	ABCD4E21F28 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-61.63
Dipole, Da:	3.97
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C[C@H](C)NC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl)C

DOS

IR

Vibrations