Geometry & MOs

Info

ID:	44109
PubChem CID:	10500715
Reduced:	NO3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-275.58
Dipole, Da:	3.45
IP(EA), eV:	-9.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCN([C@@H]1CC(=O)OC)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations