Geometry & MOs

Info

ID:	166598
PubChem CID:	74714222
Reduced:	ON6C29H30 (1)
Stoich.:	AB6C29D30 (1)
Weight, g/mol:	336.20873
ΔH_f, kcal/mol:	86.99
Dipole, Da:	6.29
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)propyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]azanium

Drug info:

PubChemData

Smile

C1CN2CC(C1CC2CN3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)NCC6=CN=CC=C6

DOS

IR

Vibrations