Geometry & MOs

Info

ID:	324930
PubChem CID:	126678725
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	491.269654
ΔH_f, kcal/mol:	-42.35
Dipole, Da:	4.01
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CC=C(C=C2)C3=CC4=C(C=C3)N5C=C(N=C5CO4)CN6CCOCC6

DOS

IR

Vibrations