Geometry & MOs

Info

ID:	368729
PubChem CID:	127329948
Reduced:	OSN3C15H27 (1)
Stoich.:	ABC3D15E27 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	3.38
IP(EA), eV:	-8.68(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-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

CC1CN2CCCCC2CN1C(=O)NC3CCSCC3

DOS

IR

Vibrations