Geometry & MOs

Info

ID:	46525
PubChem CID:	10524986
Reduced:	O2N3C24H37 (1)
Stoich.:	A2B3C24D37 (1)
Weight, g/mol:	399.259586
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	4.48
IP(EA), eV:	-9.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,3-dimethyl-5-[5-(4-phenylbutyl)thiophen-2-yl]pentyl]morpholine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC(=NO1)C2(CCCC2)C(=O)N3C=CN=C3

DOS

IR

Vibrations