Geometry & MOs

Info

ID:	225039
PubChem CID:	85735822
Reduced:	LiNH14C15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	55.76
Dipole, Da:	13.7
IP(EA), eV:	-6.49(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxolan-2-yl)-1-phenylbutan-2-one

Drug info:

PubChemData

Smile

[Li+].CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3[CH-]2

DOS

IR

Vibrations