Geometry & MOs

Info

ID:	327135
PubChem CID:	126689070
Reduced:	N2O4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	381.191323
ΔH_f, kcal/mol:	-206.99
Dipole, Da:	3.69
IP(EA), eV:	-9.65(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]ethylurea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC([C@H]1C(=O)N)OC

DOS

IR

Vibrations