Geometry & MOs

Info

ID:	348374
PubChem CID:	127273439
Reduced:	BrON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	30.13
Dipole, Da:	0.96
IP(EA), eV:	-9.6(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CC3C4=CC=C(C=C4)Br

DOS

IR

Vibrations