Geometry & MOs

Info

ID:	12033
PubChem CID:	126447
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	8.22
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-pyridin-4-yl-4,5-dihydroimidazol-1-yl)butanoylamino]benzoic acid

Drug info:

PubChemData

Smile

C1CN(C(=N1)C2=CC=NC=C2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations