Geometry & MOs

Info

ID:	431767
PubChem CID:	135171873
Reduced:	F3O3N4C25H33 (1)
Stoich.:	A3B3C4D25E33 (1)
Weight, g/mol:	494.250475
ΔH_f, kcal/mol:	-248.6
Dipole, Da:	5.49
IP(EA), eV:	-8.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations