Geometry & MOs

Info

ID:	164097
PubChem CID:	74381967
Reduced:	S2N5O5C27H27 (1)
Stoich.:	A2B5C5D27E27 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-122.22
Dipole, Da:	9.96
IP(EA), eV:	-8.72(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]diazinan-3-one

Drug info:

PubChemData

Smile

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCC4(CC3)CC(=O)C5=C(S4)C=CC(=C5)C6NC(=O)ON6

DOS

IR

Vibrations