Geometry & MOs

Info

ID:	372946
PubChem CID:	131307363
Reduced:	BrNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	167.142248
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	2.11
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(1-methylpyrrolidin-3-yl)butanenitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C[C@@H](CO2)N)C(=C1)Br

DOS

IR

Vibrations