Geometry & MOs

Info

ID:	161655
PubChem CID:	57392263
Reduced:	OCl2N3H23C28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	76.47
Dipole, Da:	5.58
IP(EA), eV:	-8.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(4-methoxyphenyl)-2-(4-nitrophenyl)ethyl]imidazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN(C=C2[C@@H](C3=CC=CC=C3)N4C=CN=C4)CC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations