Geometry & MOs

Info

ID:	175656
PubChem CID:	75931674
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	450.187875
ΔH_f, kcal/mol:	10.29
Dipole, Da:	2.73
IP(EA), eV:	-9.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]propanamide

Drug info:

PubChemData

Smile

CCCC(C1=NN=C2N1C=CC=C2)NC(=O)C3=C(C4=CC=CC(=C4O3)C)C

DOS

IR

Vibrations