Geometry & MOs

Info

ID:	45702
PubChem CID:	10516647
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	277.110279
ΔH_f, kcal/mol:	-140.14
Dipole, Da:	2.63
IP(EA), eV:	-9.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethyl-3-oxo-3-phenylpropanoyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=N[C@@H]([C@@H](O1)COCC2=CC=CC=C2)COC(=O)C

DOS

IR

Vibrations