Geometry & MOs

Info

ID:	271869
PubChem CID:	103694950
Reduced:	BrN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	57.37
Dipole, Da:	6.66
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylbenzonitrile

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)C2=C(C(=CC=C2)Br)C#N

DOS

IR

Vibrations