Geometry & MOs

Info

ID:	348343
PubChem CID:	127273408
Reduced:	FO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-93.24
Dipole, Da:	4.88
IP(EA), eV:	-9.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CCCN(C3)C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations