Geometry & MOs

Info

ID:	354516
PubChem CID:	127287130
Reduced:	OSN6C13H18 (1)
Stoich.:	ABC6D13E18 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	22.19
Dipole, Da:	2.24
IP(EA), eV:	-9.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations