Geometry & MOs

Info

ID:	413427
PubChem CID:	135086376
Reduced:	FNO5C16H16 (1)
Stoich.:	ABC5D16E16 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-231.22
Dipole, Da:	2.67
IP(EA), eV:	-9.38(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-tert-butyl-2-[2-(3,4,5-trimethoxyphenyl)ethynyl]-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)F)/C(=C\C(=O)OC)/C1=O

DOS

IR

Vibrations