Geometry & MOs

Info

ID:	407691
PubChem CID:	135080443
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	224.98995
ΔH_f, kcal/mol:	34.94
Dipole, Da:	1.3
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-bromophenyl)-4-deuteriobut-3-en-2-one

Drug info:

PubChemData

Smile

CCC=C(CC)C=CC1=CC=CC=N1

DOS

IR

Vibrations