Geometry & MOs

Info

ID:	141324
PubChem CID:	52860627
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	70.15
Dipole, Da:	5.31
IP(EA), eV:	-9.02(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(1-methylpyrazol-4-yl)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)[C@@H]3C[C@@H]3C4=CN(N=C4)C

DOS

IR

Vibrations