Geometry & MOs

Info

ID:	399613
PubChem CID:	135041244
Reduced:	O3H10C13 (1)
Stoich.:	A3B10C13 (1)
Weight, g/mol:	234.140851
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	3.45
IP(EA), eV:	-9.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(3-methyl-3-phenylcyclobuten-1-yl)benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=CC(=CO2)C=O)C=O

DOS

IR

Vibrations