Geometry & MOs

Info

ID:	262092
PubChem CID:	103269662
Reduced:	BrO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	294.03678
ΔH_f, kcal/mol:	-67.46
Dipole, Da:	5.66
IP(EA), eV:	-9.15(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(3-hydroxycyclopentyl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)NCC2CCC(C2)O)Br

DOS

IR

Vibrations