Geometry & MOs

Info

ID:	185018
PubChem CID:	77240431
Reduced:	BrNOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-2.9
Dipole, Da:	4.69
IP(EA), eV:	-9.32(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-benzyl-4-hydroxybutanamide

Drug info:

PubChemData

Smile

C1CC(C23CCNC(C2(C1)O)CC4=CC=CC=C34)Br

DOS

IR

Vibrations