Geometry & MOs

Info

ID:	28832
PubChem CID:	829924
Reduced:	O2S2N4H12C13 (1)
Stoich.:	A2B2C4D12E13 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	28.37
Dipole, Da:	6.97
IP(EA), eV:	-9.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=COC(=C1)CN2C(=NN=C2SCC(=O)N)C3=CC=CS3

DOS

IR

Vibrations