Geometry & MOs

Info

ID:	414327
PubChem CID:	135087283
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	355.109897
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	4.69
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)N2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations