Geometry & MOs

Info

ID:	42679
PubChem CID:	8149859
Reduced:	OS2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	362.284575
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	4.42
IP(EA), eV:	-8.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)N[C@H](C)C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

DOS

IR

Vibrations