Geometry & MOs

Info

ID:	321264
PubChem CID:	126665632
Reduced:	O2F3N5H32C34 (1)
Stoich.:	A2B3C5D32E34 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	6.29
IP(EA), eV:	-8.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-hydroxypropan-2-ylamino)-phenylmethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C(C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F)NCC6CC6

DOS

IR

Vibrations