Geometry & MOs

Info

ID:	344353
PubChem CID:	127267529
Reduced:	ClO3N5C14H18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	310.119654
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	4.9
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-(2-methylpropoxy)propanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=NN=C2N1C=CC=C2Cl)NC(=O)OC

DOS

IR

Vibrations