Geometry & MOs

Info

ID:	147130
PubChem CID:	53786783
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	387.250849
ΔH_f, kcal/mol:	-165.68
Dipole, Da:	3.24
IP(EA), eV:	-9.56(0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)NCC

DOS

IR

Vibrations