Geometry & MOs

Info

ID:	193734
PubChem CID:	78432043
Reduced:	O2N6C23H39 (1)
Stoich.:	A2B6C23D39 (1)
Weight, g/mol:	169.085127
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	6.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.861326
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-5-yl)-2-(methylazaniumyl)propanoate

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)C(C2CC3CC(CCC3NC2=O)C)C4=NN=NN4CC5CCCO5

DOS

IR

Vibrations