Geometry & MOs

Info

ID:	242545
PubChem CID:	97301968
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	6.11
IP(EA), eV:	-9.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-3-[[(2S)-butan-2-yl]amino]-2-hydroxypropoxy]phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CCCC(=O)C1=CC=CC=C1OC[C@H](CNC(C)(C)C)O

DOS

IR

Vibrations