Geometry & MOs

Info

ID:	305657
PubChem CID:	124964002
Reduced:	FON3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-50.7
Dipole, Da:	3.27
IP(EA), eV:	-8.64(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@@H]2CCCN(C2)CC3=C(C=C(C=C3)OC)F)C

DOS

IR

Vibrations