Geometry & MOs

Info

ID:	213584
PubChem CID:	81064279
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	1.72
IP(EA), eV:	-9.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(C)CC(=O)O)Cl

DOS

IR

Vibrations