Geometry & MOs

Info

ID:	306464
PubChem CID:	125011816
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	2.55
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-imidazole

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)[C@@H]2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations