Geometry & MOs

Info

ID:	312139
PubChem CID:	126603339
Reduced:	ON4C13H26 (1)
Stoich.:	AB4C13D26 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	2.62
IP(EA), eV:	-9.18(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-aminoethoxy)-3-[4-[(propan-2-ylamino)methyl]cyclohexyl]-10H-pyrimido[5,4-b][1,4]benzoxazin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(CC1)C(=O)CCN=C(N)N

DOS

IR

Vibrations