Geometry & MOs

Info

ID:	427692
PubChem CID:	135161340
Reduced:	FN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	411.107372
ΔH_f, kcal/mol:	14.45
Dipole, Da:	2.39
IP(EA), eV:	-7.81(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanol

Drug info:

PubChemData

Smile

CC1=C(C(N(N1)C)N)/C(=C(/C2=CC=CC=C2)\N)/F

DOS

IR

Vibrations