Geometry & MOs

Info

ID:	348300
PubChem CID:	127273365
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	4.12
IP(EA), eV:	-8.96(-0.44)
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-propan-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations