Geometry & MOs

Info

ID:	173891
PubChem CID:	75694092
Reduced:	O2N6C14H15 (1)
Stoich.:	A2B6C14D15 (1)
Weight, g/mol:	255.121906
ΔH_f, kcal/mol:	27.41
Dipole, Da:	8.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793011
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-1-ium-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C1=CN2C(=NC=C(C2=O)N)C(=C1)C(=O)NCCC3=C[NH2+]C=N3

DOS

IR

Vibrations