Geometry & MOs

Info

ID:	386211
PubChem CID:	134981078
Reduced:	BrOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	2.56
IP(EA), eV:	-9.73(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-but-1-enyl]-1-propylpyrrolidine

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C([C@@H]1CCCO2)(C)C)Br

DOS

IR

Vibrations