Geometry & MOs

Info

ID:	366570
PubChem CID:	127320099
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	1.73
IP(EA), eV:	-8.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylmorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC(=O)[C@@H]2CCCN2C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations