Geometry & MOs

Info

ID:	340999
PubChem CID:	127263434
Reduced:	ClN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	294.07712
ΔH_f, kcal/mol:	-49.34
Dipole, Da:	4.88
IP(EA), eV:	-9.16(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-chlorophenyl)-3-[2-(hydroxymethyl)imidazol-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(C2=CC(=CC=C2)Cl)C(=O)OC

DOS

IR

Vibrations