Geometry & MOs

Info

ID:	324936
PubChem CID:	126678801
Reduced:	O2N5C29H35 (1)
Stoich.:	A2B5C29D35 (1)
Weight, g/mol:	487.294725
ΔH_f, kcal/mol:	25.37
Dipole, Da:	7.25
IP(EA), eV:	-8.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(4-tert-butylpiperazin-1-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

CC(C)N1C2CC1CN(C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N6C=C(N=C6CO5)CN7CCOCC7

DOS

IR

Vibrations