Geometry & MOs

Info

ID:	368466
PubChem CID:	127328940
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-25.3
Dipole, Da:	6.7
IP(EA), eV:	-8.67(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2CCC3=NN=C(N3C2)C

DOS

IR

Vibrations