Geometry & MOs

Info

ID:	6424
PubChem CID:	68589
Reduced:	Cl3N3O4H16C18 (1)
Stoich.:	A3B3C4D16E18 (1)
Weight, g/mol:	443.020639
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	10.88
IP(EA), eV:	-9.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

DOS

IR

Vibrations