Geometry & MOs

Info

ID:	318264
PubChem CID:	126650167
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	6.76
Dipole, Da:	3.03
IP(EA), eV:	-8.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptyl-2,5-dihydro-1H-pyrimido[4,5-b][1,4]benzoxazine

Drug info:

PubChemData

Smile

CCCCCCCC1=NC=C2C(=N1)OC3=CC=CC=C3N2

DOS

IR

Vibrations