Geometry & MOs

Info

ID:	348368
PubChem CID:	127273433
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	316.201159
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	1.24
IP(EA), eV:	-9.61(0.4)
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-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C(C)OCC3CCCCO3

DOS

IR

Vibrations