Geometry & MOs

Info

ID:	147648
PubChem CID:	53787305
Reduced:	C21H22 (1)
Stoich.:	A21B22 (1)
Weight, g/mol:	183.100777
ΔH_f, kcal/mol:	30.92
Dipole, Da:	1.17
IP(EA), eV:	-8.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC=CC3=CC=CC=C32)CC(C)C

DOS

IR

Vibrations