Geometry & MOs

Info

ID:	417611
PubChem CID:	135102231
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	2.57
IP(EA), eV:	-8.37(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C=CN=C1CNC(=O)C2(CCCC2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations