Geometry & MOs

Info

ID:	324935
PubChem CID:	126678752
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	485.279075
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	9.71
IP(EA), eV:	-8.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(morpholin-4-ylmethyl)-7-[4-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N2CCNCC2)C3=CC4=C(C=C3)N5C=C(N=C5CO4)CCN6CCOCC6

DOS

IR

Vibrations