Geometry & MOs

Info

ID:	421329
PubChem CID:	135115790
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	3.53
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC(=NO2)CNC3=NC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations