Geometry & MOs

Info

ID:	368732
PubChem CID:	127329952
Reduced:	OSN5C15H25 (1)
Stoich.:	ABC5D15E25 (1)
Weight, g/mol:	387.182588
ΔH_f, kcal/mol:	-34.32
Dipole, Da:	1.83
IP(EA), eV:	-8.71(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3CCCC(C3)SC

DOS

IR

Vibrations