Geometry & MOs

Info

ID:	439554
PubChem CID:	135229330
Reduced:	O3N7C24H29 (3)
Stoich.:	A3B7C24D29 (3)
Weight, g/mol:	283.287515
ΔH_f, kcal/mol:	29.79
Dipole, Da:	11.65
IP(EA), eV:	-7.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-dodecan-6-yl-4-methoxypiperidine

Drug info:

Smile

CN1C=C(C(=N1)OC)NC2=CN(C(=O)C3=C2N=CN3C4CC4)C5CCC(C5)N(C)C(=O)C(=C)C6CCC6N7C=NC8=C7C(=O)N(C=C8NC9=CN(N=C9OC)C)C1CCC(C1)N(C)C(=O)C(=C)C1C2CC1(C2)N1C=NC2=C1C(=O)N(C=C2NC1=CN(N=C1OC)C)C1CCC(C1)N(C)C(=O)C=C

DOS

IR

Vibrations