Geometry & MOs

Info

ID:	420083
PubChem CID:	135111055
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	352.146617
ΔH_f, kcal/mol:	-77.22
Dipole, Da:	3.65
IP(EA), eV:	-8.64(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCCC2)N[C@H]3COC[C@@H]3OCC

DOS

IR

Vibrations