Geometry & MOs

Info

ID:	42687
PubChem CID:	8149867
Reduced:	FOSN3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	362.284575
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	2.82
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

diethyl-[(4S)-4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylazaniumyl]pentyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations