Geometry & MOs

Info

ID:	417842
PubChem CID:	135102901
Reduced:	O6N7C37H45 (1)
Stoich.:	A6B7C37D45 (1)
Weight, g/mol:	346.205656
ΔH_f, kcal/mol:	-192.46
Dipole, Da:	12.59
IP(EA), eV:	-9.38(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)azetidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations