Geometry & MOs

Info

ID:	415477
PubChem CID:	135088472
Reduced:	N3O3C19H21 (2)
Stoich.:	A3B3C19D21 (2)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-170.18
Dipole, Da:	7.95
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-morpholin-4-ylazetidin-1-yl)-[2-(2-phenylethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)CCC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations