Geometry & MOs

Info

ID:	435883
PubChem CID:	135192675
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	256.097368
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	3.58
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl 2-(1-methylpyridin-1-ium-4-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

CCCC/C=C/C1=C2C(=CC=C1)NC(=O)C(O2)C(C)C

DOS

IR

Vibrations