Geometry & MOs

Info

ID:	403821
PubChem CID:	135062058
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	6.82
IP(EA), eV:	-9.34(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4-dimethyl-2-phenylcyclobut-2-en-1-yl)ethyl benzoate

Drug info:

PubChemData

Smile

C[C@H]1C/C(=C/N2CCOC2=O)/[C@@]3(CCC[C@]1(O3)C4=CC=CC=C4)C

DOS

IR

Vibrations