Geometry & MOs

Info

ID:	318082
PubChem CID:	126648903
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	319.07391
ΔH_f, kcal/mol:	-131.02
Dipole, Da:	1.14
IP(EA), eV:	-9.35(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NC(=O)C2=CNC(=O)C(=C2)C(=O)N(C)CC3=CC=CC=C3)C

DOS

IR

Vibrations