Geometry & MOs

Info

ID:	323107
PubChem CID:	126672546
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	413.183873
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	1.36
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4E)-6-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-5-fluorohepta-2,4,6-trien-2-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=C=O)CCCC(=C)CC(=C=O)O

DOS

IR

Vibrations