Geometry & MOs

Info

ID:	427358
PubChem CID:	135157586
Reduced:	SN4O21C63H112 (1)
Stoich.:	AB4C21D63E112 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-1039.92
Dipole, Da:	5.57
IP(EA), eV:	-9.06(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-4-propan-2-ylphenyl)-2,2-dimethylmorpholine

Drug info:

Smile

CC(=O)NC1([C@](OC([C@@](C1(C)COC[C@@]2(C(C([C@](C(O2)(C)C)(C)COC[C@]3(C(C([C@](C(O3)(C)CO)(C)O)(C)O)(C)COC[C@]4(C(C([C@](C(O4)(C)C)(C)O)(C)O)(C)O)C)C)(C)O)(C)O)C)(C)O)(C)CO)(C)OC(=O)CCCCC5[C@@H]6C(CS5)(NC(=O)N6)N=C)C

DOS

IR

Vibrations