Geometry & MOs

Info

ID:	348331
PubChem CID:	127273396
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	22.97
Dipole, Da:	4.97
IP(EA), eV:	-9.03(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)NC3CCC4=NC(=NN4C3)C)C

DOS

IR

Vibrations