Geometry & MOs

Info

ID:	371846
PubChem CID:	131274921
Reduced:	BrClNC9H9 (1)
Stoich.:	ABCD9E9 (1)
Weight, g/mol:	180.162649
ΔH_f, kcal/mol:	11.64
Dipole, Da:	4.2
IP(EA), eV:	-8.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butylpyrrolidin-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1CC2=C(N1)C=CC(=C2Br)Cl

DOS

IR

Vibrations