Geometry & MOs

Info

ID:	348335
PubChem CID:	127273400
Reduced:	F2O2N5C18H19 (1)
Stoich.:	A2B2C5D18E19 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-119.28
Dipole, Da:	3.68
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CC(=O)N(C3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations