Geometry & MOs

Info

ID:	25449
PubChem CID:	625194
Reduced:	O2N3S3H7C9 (1)
Stoich.:	A2B3C3D7E9 (1)
Weight, g/mol:	366.053798
ΔH_f, kcal/mol:	86.45
Dipole, Da:	6.27
IP(EA), eV:	-9.04(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole

Drug info:

PubChemData

Smile

CSC1=NN=C(S1)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations