Geometry & MOs

Info

ID:	405374
PubChem CID:	135073702
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	327.08735
ΔH_f, kcal/mol:	-53.77
Dipole, Da:	3.5
IP(EA), eV:	-8.24(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-(4-chloropyridin-2-yl)-6-methoxycarbonyloxyhex-4-enoate

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)CN(C/C=C/COC(=O)OC)CC3=CC=CC=C3)C=CN2

DOS

IR

Vibrations