Geometry & MOs

Info

ID:	178162
PubChem CID:	76287386
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	381.160103
ΔH_f, kcal/mol:	10.38
Dipole, Da:	4.76
IP(EA), eV:	-8.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(azetidin-3-ylamino)-8-(4-fluorophenyl)-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NN=C2N1C3=C(C=C(C(=C3)NC4CNC4)C5CC5)OC2

DOS

IR

Vibrations