Geometry & MOs

Info

ID:	16372
PubChem CID:	466000
Reduced:	ClON2H7C10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	412.049381
ΔH_f, kcal/mol:	87.42
Dipole, Da:	7.57
IP(EA), eV:	-9.48(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-nitrophenyl)methyl]imidazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C2=CNC=C2C3=C(C=C(C=C3)Cl)Cl)N4C=CN=C4)[N+](=O)[O-]

DOS

IR

Vibrations