Geometry & MOs

Info

ID:	186801
PubChem CID:	77487186
Reduced:	N3O7C23H29 (1)
Stoich.:	A3B7C23D29 (1)
Weight, g/mol:	406.205656
ΔH_f, kcal/mol:	-261.2
Dipole, Da:	7.02
IP(EA), eV:	-9.14(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(4-amino-2-methylphenyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-3H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C(=O)OC)N

DOS

IR

Vibrations