Geometry & MOs

Info

ID:	307226
PubChem CID:	125292616
Reduced:	N2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	392.14193
ΔH_f, kcal/mol:	38.91
Dipole, Da:	3.65
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-5-phenyl-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](C=N2)CCN

DOS

IR

Vibrations