Geometry & MOs

Info

ID:	395973
PubChem CID:	135027050
Reduced:	ClN2O6C29H31 (1)
Stoich.:	AB2C6D29E31 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-141.72
Dipole, Da:	4.41
IP(EA), eV:	-9.52(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCC[C@]1(C[C@H](N(O1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Cl)ONC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations