Geometry & MOs

Info

ID:	130402
PubChem CID:	51075827
Reduced:	NOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	3.19
IP(EA), eV:	-9.14(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzylpyrrolidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CCC(=O)N1CCC2=C(C1)C=CS2

DOS

IR

Vibrations