Geometry & MOs

Info

ID:	161656
PubChem CID:	57392266
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	299.142248
ΔH_f, kcal/mol:	34.14
Dipole, Da:	9.6
IP(EA), eV:	-9.33(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])N3C=CN=C3

DOS

IR

Vibrations