Geometry & MOs

Info

ID:	159121
PubChem CID:	57260459
Reduced:	N2O3C26H36 (1)
Stoich.:	A2B3C26D36 (1)
Weight, g/mol:	416.253589
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	0.74
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethoxyethyl)-2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)CCOCCCC

DOS

IR

Vibrations