Geometry & MOs

Info

ID:	348282
PubChem CID:	127273347
Reduced:	ON4C20H30 (1)
Stoich.:	AB4C20D30 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	2.96
IP(EA), eV:	-9.49(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)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C34CC5CC(C3)(CC(C5)(C4)C)C

DOS

IR

Vibrations