Geometry & MOs

Info

ID:	399727
PubChem CID:	135042104
Reduced:	ClO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	222.140851
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	5.16
IP(EA), eV:	-10.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(1-phenylbut-2-enyl)benzene

Drug info:

PubChemData

Smile

C1[C@H](C(OC1=O)Cl)C2=CC=CC=C2

DOS

IR

Vibrations