Geometry & MOs

Info

ID:	420802
PubChem CID:	135114858
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	350.150954
ΔH_f, kcal/mol:	-27.27
Dipole, Da:	2.73
IP(EA), eV:	-9.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)CCC(=O)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations