Geometry & MOs

Info

ID:	344352
PubChem CID:	127267528
Reduced:	ClON6C16H17 (1)
Stoich.:	ABC6D16E17 (1)
Weight, g/mol:	339.109817
ΔH_f, kcal/mol:	34.09
Dipole, Da:	4.31
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(CCN1C=NC2=C(N=CN=C21)N)C(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations