Geometry & MOs

Info

ID:	145230
PubChem CID:	53482771
Reduced:	N5F6O6C28H31 (1)
Stoich.:	A5B6C6D28E31 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-497.09
Dipole, Da:	14.69
IP(EA), eV:	-8.21(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NE)-N-(1-hydroxy-6-methylpyridin-2-ylidene)carbamate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=N)C2=CC=C(C=C2)C(=O)OC[C@H]3CCCN3C4=CC=CC(=C4)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations