Geometry & MOs

Info

ID:	295506
PubChem CID:	117531620
Reduced:	FN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	2.31
IP(EA), eV:	-9.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyphenyl)methyl N-(cyanomethyl)carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)NCC#N)F

DOS

IR

Vibrations