Geometry & MOs

Info

ID:	145119
PubChem CID:	53466381
Reduced:	N2O3C27H44 (1)
Stoich.:	A2B3C27D44 (1)
Weight, g/mol:	522.191463
ΔH_f, kcal/mol:	-145.13
Dipole, Da:	1.82
IP(EA), eV:	-8.09(0.41)
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-methoxypyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)CCCC3CCCC4=C3C=CC=C4OCCOCCO

DOS

IR

Vibrations