Geometry & MOs

Info

ID:	402030
PubChem CID:	135053930
Reduced:	FNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-138.14
Dipole, Da:	2.53
IP(EA), eV:	-8.17(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-cyanopentyl] acetate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C1=CC=C(C=C1)F)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations