Geometry & MOs

Info

ID:	45311
PubChem CID:	10510998
Reduced:	FNH8C9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	149.091995
ΔH_f, kcal/mol:	32.27
Dipole, Da:	1.55
IP(EA), eV:	-9.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1,3,3-trideuterioprop-2-en-1-one

Drug info:

PubChemData

Smile

C#C[C@@H](C1=CC(=CC=C1)F)N

DOS

IR

Vibrations