Geometry & MOs

Info

ID:	298620
PubChem CID:	117651844
Reduced:	ClN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	-43.74
Dipole, Da:	3.78
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropane;[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NOC3(C2)CCN(CC3)OC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations