Geometry & MOs

Info

ID:	397136
PubChem CID:	135029777
Reduced:	ON3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	368.141245
ΔH_f, kcal/mol:	76.51
Dipole, Da:	2.31
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-benzoyl-4,5-dimethylphenyl)-1-(2-methoxyphenyl)prop-2-yn-1-one

Drug info:

PubChemData

Smile

CC1=C(CC(=C(C1)C2=CN(N=N2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations