Geometry & MOs

Info

ID:	402821
PubChem CID:	135057419
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	238.135765
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	5.16
IP(EA), eV:	-9.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(3-methylphenyl)ethyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)C2=CC=CC=N2)C3CCC(=O)C3

DOS

IR

Vibrations