Geometry & MOs

Info

ID:	348320
PubChem CID:	127273385
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	5.73
IP(EA), eV:	-9.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=CC(=CC=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations