Geometry & MOs

Info

ID:	354526
PubChem CID:	127287140
Reduced:	OF3N7C15H20 (1)
Stoich.:	AB3C7D15E20 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	-140.86
Dipole, Da:	2.99
IP(EA), eV:	-9.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N(C)CC3=NC=CN3CC(F)(F)F

DOS

IR

Vibrations