Geometry & MOs

Info

ID:	405334
PubChem CID:	135073556
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	-126.46
Dipole, Da:	0.71
IP(EA), eV:	-9.15(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-prop-2-enylphenyl)cyclopropane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@H]1CCO/N=C/C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations