Geometry & MOs

Info

ID:	174557
PubChem CID:	75784092
Reduced:	N3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	483.171559
ΔH_f, kcal/mol:	91.88
Dipole, Da:	9.1
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-oxo-9-(2-thiophen-2-ylethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-3-yl]oxy]benzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(CNC2=NC=NC3=C2NC=N3)C4=CC=CC=C4

DOS

IR

Vibrations