Geometry & MOs

Info

ID:	32408
PubChem CID:	7788195
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	253.073893
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	3.71
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyanophenyl)methyl 3-hydroxybenzoate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

DOS

IR

Vibrations