Geometry & MOs

Info

ID:	372093
PubChem CID:	131293122
Reduced:	N2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	282.00039
ΔH_f, kcal/mol:	53.46
Dipole, Da:	4.83
IP(EA), eV:	-8.12(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-hydroxy-3-[(3S)-morpholin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CN2CC(CN=C2N1)CCC#N

DOS

IR

Vibrations