Geometry & MOs

Info

ID:	149836
PubChem CID:	53789514
Reduced:	N2O6H10C15 (1)
Stoich.:	A2B6C10D15 (1)
Weight, g/mol:	414.216809
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	4.13
IP(EA), eV:	-10.82(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-1-enyl-1-propan-2-yl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations