Geometry & MOs

Info

ID:	45918
PubChem CID:	10519083
Reduced:	N3O5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-220.87
Dipole, Da:	1.19
IP(EA), eV:	-9.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-[(E)-[(2-methylpropan-2-yl)oxyamino]-(3-oxopyridin-2-ylidene)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1=CC=C(N1)C(=O)OC

DOS

IR

Vibrations