Geometry & MOs

Info

ID:	147200
PubChem CID:	53786854
Reduced:	O5C27H30 (1)
Stoich.:	A5B27C30 (1)
Weight, g/mol:	216.070578
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	4.13
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-methyl-3-(2-methylphenyl)benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OOCC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations