Geometry & MOs

Info

ID:	410957
PubChem CID:	135083761
Reduced:	BrNOH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	41.97
Dipole, Da:	0.96
IP(EA), eV:	-9.9(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N=CC2=CC(=CC=C2)Br

DOS

IR

Vibrations