Geometry & MOs

Info

ID:	378488
PubChem CID:	134224573
Reduced:	O3F4N4C21H24 (1)
Stoich.:	A3B4C4D21E24 (1)
Weight, g/mol:	452.219924
ΔH_f, kcal/mol:	-290.41
Dipole, Da:	6.81
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

Drug info:

PubChemData

Smile

COC(=O)N1CCC2=C(C1)C(=NN2)C(N3CCC(CC3)C4=C(C(=CC=C4)F)C(F)(F)F)O

DOS

IR

Vibrations