Geometry & MOs

Info

ID:	328288
PubChem CID:	126700564
Reduced:	O4N5C29H35 (1)
Stoich.:	A4B5C29D35 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	-51.19
Dipole, Da:	2.01
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)NC2=C(C(=NC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations