Geometry & MOs

Info

ID:	197171
PubChem CID:	78932052
Reduced:	BrNO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	4.01
IP(EA), eV:	-9.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)Br)OCCC2=CN=CC=C2)O

DOS

IR

Vibrations