Geometry & MOs

Info

ID:	225160
PubChem CID:	85747749
Reduced:	BrN5H12C17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	147.53
Dipole, Da:	2.74
IP(EA), eV:	-9.2(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetyl-3-oxo-1-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)N(CC2=CC(=CN=C2)Br)C3=CN=CN=C3

DOS

IR

Vibrations