Geometry & MOs

Info

ID:	57938
PubChem CID:	24278749
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	-24.29
Dipole, Da:	3.75
IP(EA), eV:	-8.33(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-imidazol-1-ylpropyl)-1,3-dihydroisoindol-5-amine

Drug info:

PubChemData

Smile

C1CC(OC1)CN2CC3=C(C2)C=C(C=C3)N

DOS

IR

Vibrations