Geometry & MOs

Info

ID:	380138
PubChem CID:	134965123
Reduced:	OC18H18 (1)
Stoich.:	AB18C18 (1)
Weight, g/mol:	174.140851
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	3.79
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(2-methylpent-2-en-3-yl)benzene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations