Geometry & MOs

Info

ID:	328316
PubChem CID:	126700672
Reduced:	N2O2C11H11 (2)
Stoich.:	A2B2C11D11 (2)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	5.61
IP(EA), eV:	-8.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)N[C@@H](C4CC4)C(=O)N)N=C2C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations