Geometry & MOs

Info

ID:	297068
PubChem CID:	117607531
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	442.12283
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	6.65
IP(EA), eV:	-8.55(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N=C(N3CC4=CC=CC=C4C)[C@H]5CCCC[C@H]5C(=O)O

DOS

IR

Vibrations