Geometry & MOs

Info

ID:	146777
PubChem CID:	53748090
Reduced:	O5C59H96 (1)
Stoich.:	A5B59C96 (1)
Weight, g/mol:	244.065493
ΔH_f, kcal/mol:	-294.2
Dipole, Da:	2.69
IP(EA), eV:	-8.79(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(4-methylphenyl)benzoyl chloride

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)C(COC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C)C(=O)C(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations