Geometry & MOs

Info

ID:	324938
PubChem CID:	126678823
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	507.280967
ΔH_f, kcal/mol:	24.49
Dipole, Da:	5.46
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,4-difluoropiperidin-1-yl)methyl]-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)COC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations