Geometry & MOs

Info

ID:	57065
PubChem CID:	22395288
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	31.74
Dipole, Da:	2.74
IP(EA), eV:	-8.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclohexylphenyl)-3-oxopropanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C=C2N)C3=CC=CC=C3

DOS

IR

Vibrations