Geometry & MOs

Info

ID:	422761
PubChem CID:	135118364
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	275.107005
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	4.45
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-4-methoxypyrimidin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=CC=N3)CO

DOS

IR

Vibrations