Geometry & MOs

Info

ID:	373821
PubChem CID:	131320363
Reduced:	BrO2N3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	181.157898
ΔH_f, kcal/mol:	-10.56
Dipole, Da:	1.96
IP(EA), eV:	-9.52(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2=CC(=NN2C=C1Br)C

DOS

IR

Vibrations