Geometry & MOs

Info

ID:	328347
PubChem CID:	126700770
Reduced:	OC4N4H8 (1)
Stoich.:	AB4C4D8 (1)
Weight, g/mol:	470.170253
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	6.15
IP(EA), eV:	-9.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]pyrazol-1-yl]-2-cyclopropylacetic acid

Drug info:

PubChemData

Smile

C(C(=O)N)N=CN=CN

DOS

IR

Vibrations