Geometry & MOs

Info

ID:	149226
PubChem CID:	53788898
Reduced:	N3O4C34H35 (1)
Stoich.:	A3B4C34D35 (1)
Weight, g/mol:	249.123917
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	7.05
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]-hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]azanium

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCC5)C(=O)C=CC6=CC=C(C=C6)OCCN7CCOCC7

DOS

IR

Vibrations