Geometry & MOs

Info

ID:	355538
PubChem CID:	127288608
Reduced:	FON5C18H24 (1)
Stoich.:	ABC5D18E24 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	6.85
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(C)C(=O)NC3=C(C=CC(=C3)F)C

DOS

IR

Vibrations