Geometry & MOs

Info

ID:	142634
PubChem CID:	53069866
Reduced:	ON5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	90.89
Dipole, Da:	5.81
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2C3=C(C=CC=N3)N=N2)C(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations