Geometry & MOs

Info

ID:	328824
PubChem CID:	126728317
Reduced:	N3C5H15 (1)
Stoich.:	A3B5C15 (1)
Weight, g/mol:	191.058243
ΔH_f, kcal/mol:	-1.11
Dipole, Da:	3.44
IP(EA), eV:	-8.84(2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyridin-4-yl)-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

CC(NC)N(C)CN

DOS

IR

Vibrations