Geometry & MOs

Info

ID:	401960
PubChem CID:	135053582
Reduced:	OH10C11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-7.85
Dipole, Da:	3.17
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1-cyanocyclohexyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations