Geometry & MOs

Info

ID:	268207
PubChem CID:	103598375
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	284.079707
ΔH_f, kcal/mol:	17.44
Dipole, Da:	2.1
IP(EA), eV:	-8.94(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 3-pyridin-4-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C=CC3=CC=NC=C3)C

DOS

IR

Vibrations