Geometry & MOs

Info

ID:	405631
PubChem CID:	135074737
Reduced:	NF3O6C16H16 (1)
Stoich.:	AB3C6D16E16 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-361.61
Dipole, Da:	5.07
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [(E)-6-oxo-6-phenyl-5-pyridin-2-ylhex-2-enyl] carbonate

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/C1=CC2=C(C=C1CCNC(=O)C(F)(F)F)OCO2

DOS

IR

Vibrations