Geometry & MOs

Info

ID:	275213
PubChem CID:	103814631
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	242.120132
ΔH_f, kcal/mol:	-52.74
Dipole, Da:	5.03
IP(EA), eV:	-9.0(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(1H-imidazol-2-yl)ethyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CC2(CCC2)N)C

DOS

IR

Vibrations