Geometry & MOs

Info

ID:	407093
PubChem CID:	135079318
Reduced:	O3C22H28 (1)
Stoich.:	A3B22C28 (1)
Weight, g/mol:	319.193614
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	3.3
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(diethylamino)phenyl]methyl]-5-phenylpent-4-yn-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CCCC2=O)C(C)(C)C3=CC=CC=C3

DOS

IR

Vibrations