Geometry & MOs

Info

ID:	242546
PubChem CID:	97301977
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-86.5
Dipole, Da:	5.09
IP(EA), eV:	-9.26(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC[C@H](C)NC[C@@H](COC1=CC=CC=C1C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations