Geometry & MOs

Info

ID:	348360
PubChem CID:	127273425
Reduced:	F2O2N5C18H19 (1)
Stoich.:	A2B2C5D18E19 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-126.03
Dipole, Da:	6.37
IP(EA), eV:	-9.39(-0.52)
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)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CC(=O)N(C3)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations