Geometry & MOs

Info

ID:	9689
PubChem CID:	92375
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	12.56
Dipole, Da:	2.86
IP(EA), eV:	-9.2(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(1-oxidopyridin-4-ylidene)methyl]-oxoazanium

Drug info:

PubChemData

Smile

CC(C)(C)[N+](=O)C=C1C=CN(C=C1)[O-]

DOS

IR

Vibrations