Geometry & MOs

Info

ID:	297146
PubChem CID:	117610347
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	218.121927
ΔH_f, kcal/mol:	-63.81
Dipole, Da:	2.56
IP(EA), eV:	-9.04(2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-6-fluoro-3-methanimidoyl-2-methylbenzonitrile

Drug info:

PubChemData

Smile

CCCOC1C[C@H]2CC[C@@H](C1)N2

DOS

IR

Vibrations