Geometry & MOs

Info

ID:	414671
PubChem CID:	135087630
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	1.41
IP(EA), eV:	-8.37(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(aminomethyl)pyrrolidin-1-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C3=NC(=NC(=C3)N4CCCC4)N

DOS

IR

Vibrations