Geometry & MOs

Info

ID:	183094
PubChem CID:	76978180
Reduced:	ON7H11C12 (1)
Stoich.:	AB7C11D12 (1)
Weight, g/mol:	269.080041
ΔH_f, kcal/mol:	157.67
Dipole, Da:	5.17
IP(EA), eV:	-8.29(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(pyridin-3-ylcarbamoyl)pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=NN=C(C2=CC=CC=C12)N3C=NC(=C(N)N=O)N3

DOS

IR

Vibrations