Geometry & MOs

Info

ID:	126017
PubChem CID:	50948558
Reduced:	SO3N5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	335.232125
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	4.58
IP(EA), eV:	-9.49(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(6-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NN=C(S2)NC(=O)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations