Geometry & MOs

Info

ID:	126245
PubChem CID:	50956706
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-47.84
Dipole, Da:	3.45
IP(EA), eV:	-9.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazole

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC=N1)C)NC(=O)C2(CCNCC2)OC3=CN=C(C=C3)C

DOS

IR

Vibrations