Geometry & MOs

Info

ID:	424348
PubChem CID:	135122320
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-29.96
Dipole, Da:	5.19
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-yl (E)-pent-2-enoate

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CC3=C(N2)C=CC(=C3)C4=CN=CC=C4)NC(=O)O

DOS

IR

Vibrations