Geometry & MOs

Info

ID:	338782
PubChem CID:	127259793
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	397.167794
ΔH_f, kcal/mol:	-95.1
Dipole, Da:	6.22
IP(EA), eV:	-9.37(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyano-cyclopropyl-(4-methyl-3-phenoxyphenyl)methyl] 2-phenylacetate

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CC=C2OCC3=NC4=CC=CC=C4C(=C3)C=O)C(=O)O

DOS

IR

Vibrations