Geometry & MOs

Info

ID:	186130
PubChem CID:	77394475
Reduced:	ON7C14H17 (1)
Stoich.:	AB7C14D17 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	85.1
Dipole, Da:	9.58
IP(EA), eV:	-9.63(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-aminopropoxy)-3-ethyl-9H-pyrimido[5,4-b][1,4]benzoxazin-2-one

Drug info:

PubChemData

Smile

CCN1CC(CC1C2=NN=C3N2C4C=CN=C4N=C3)C(=O)N

DOS

IR

Vibrations