Geometry & MOs

Info

ID:	368737
PubChem CID:	127329972
Reduced:	ON5F6C15H19 (1)
Stoich.:	AB5C6D15E19 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-336.06
Dipole, Da:	6.01
IP(EA), eV:	-9.64(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)N3CCC(C3)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations