Geometry & MOs

Info

ID:	428557
PubChem CID:	135167671
Reduced:	NO2C17H35 (1)
Stoich.:	AB2C17D35 (1)
Weight, g/mol:	396.335193
ΔH_f, kcal/mol:	-148.69
Dipole, Da:	2.49
IP(EA), eV:	-8.91(2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[1-[2-[2-[5-[(2-methylpropan-2-yl)oxy]pent-3-ynoxy]ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC1CCCC(C1)OCCCCCCNC

DOS

IR

Vibrations