Geometry & MOs

Info

ID:	312694
PubChem CID:	126607418
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	13.28
Dipole, Da:	9.1
IP(EA), eV:	-7.94(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

C1CCOC(C1)NC\2=C3C=CC(=CC3=N/C2=C/N)Cl

DOS

IR

Vibrations