Geometry & MOs

Info

ID:	145112
PubChem CID:	53465175
Reduced:	ON10C26H32 (1)
Stoich.:	AB10C26D32 (1)
Weight, g/mol:	534.227848
ΔH_f, kcal/mol:	108.9
Dipole, Da:	12.86
IP(EA), eV:	-8.4(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C)C(=O)NC2=CC(=C(N=C2)C)N3C=C(N=N3)C4=CC(=CN=C4)N5CCN(CC5)C

DOS

IR

Vibrations