Geometry & MOs

Info

ID:	322368
PubChem CID:	126669928
Reduced:	O3N7C40H45 (1)
Stoich.:	A3B7C40D45 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-36.92
Dipole, Da:	3.8
IP(EA), eV:	-8.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]morpholin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CC=C(C=C2)C3=CN=C(N3)[C@@H]4CCCN4)C5=CC=CC=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC(=O)OC

DOS

IR

Vibrations