Geometry & MOs

Info

ID:	201743
PubChem CID:	79574090
Reduced:	BrNOSC15H24 (1)
Stoich.:	ABCDE15F24 (1)
Weight, g/mol:	199.193614
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	2.42
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-2-(propan-2-yloxymethyl)pyrrolidine

Drug info:

PubChemData

Smile

CCCNC(COCCC)CSC1=CC=C(C=C1)Br

DOS

IR

Vibrations