Geometry & MOs

Info

ID:	160627
PubChem CID:	57389258
Reduced:	ON4H22C26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	481.202637
ΔH_f, kcal/mol:	101.54
Dipole, Da:	4.06
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[5-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]imidazo[1,2-a]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C5=CC=NC6=CC=CC=C65)C=N1

DOS

IR

Vibrations