Geometry & MOs

Info

ID:	390502
PubChem CID:	134999453
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-9.87
Dipole, Da:	4.92
IP(EA), eV:	-8.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-methyl-7-phenylhept-6-en-3-one

Drug info:

PubChemData

Smile

CN(CC1C=CC(=O)O1)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations