Geometry & MOs

Info

ID:	133343
PubChem CID:	51511102
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	196.144987
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	2.22
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-1-(1H-imidazol-3-ium-5-yl)propan-2-yl]butanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CNC(=O)COC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations