Geometry & MOs

Info

ID:	305617
PubChem CID:	124962602
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	307.154544
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	5.27
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-imidazol-2-yl)-5-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(CC2)CC3(CCOCC3)O)NC

DOS

IR

Vibrations