Geometry & MOs

Info

ID:	389121
PubChem CID:	134991238
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	186.140851
ΔH_f, kcal/mol:	-114.82
Dipole, Da:	1.95
IP(EA), eV:	-10.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(1-methylcycloprop-2-en-1-yl)benzene

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C=C\CO

DOS

IR

Vibrations