Geometry & MOs

Info

ID:	348323
PubChem CID:	127273388
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	372.171689
ΔH_f, kcal/mol:	-73.21
Dipole, Da:	3.27
IP(EA), eV:	-9.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=CC(=CC=C3)OCC4CCCO4

DOS

IR

Vibrations