Geometry & MOs

Info

ID:

315367

PubChem CID:

126625718

Reduced:

FO2N7C24H34 (1)

Stoich.:

AB2C7D24E34 (1)

Weight, g/mol:

511.307102

ΔHf, kcal/mol:

-77.72

Dipole, Da:

3.8

IP(EA), eV:

 -9.01(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[N'-tert-butyl-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-yl-3-propyl-2,3,4,5-tetrahydropyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N/C(=N\C(CC(C1=CC=C(C=C1)F)N)N)/NC(=O)C2=CN=C(C=C2)N3CCOCC3

DOS

IR

Vibrations