Geometry & MOs

Info

ID:	348786
PubChem CID:	127274073
Reduced:	O2N7C16H23 (1)
Stoich.:	A2B7C16D23 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	2.21
IP(EA), eV:	-9.55(-0.53)
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)-2-(3,3,5-trimethylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N3CCCC(C3)C4=NC(=NO4)C

DOS

IR

Vibrations