Geometry & MOs

Info

ID:	200148
PubChem CID:	79354575
Reduced:	N4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	238.058971
ΔH_f, kcal/mol:	23.74
Dipole, Da:	2.87
IP(EA), eV:	-8.96(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-methyl-5-nitro-2-oxopyridin-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CCNCC1CC2=C(CN1)NC=N2

DOS

IR

Vibrations