Geometry & MOs

Info

ID:	386896
PubChem CID:	134983285
Reduced:	NOC23H33 (1)
Stoich.:	ABC23D33 (1)
Weight, g/mol:	119.073499
ΔH_f, kcal/mol:	-28.18
Dipole, Da:	3.33
IP(EA), eV:	-8.79(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-cyclohepta-2,4-diene-1-carbonitrile

Drug info:

PubChemData

Smile

C=CCCCCCCC(=O)NC1=CC=CC(=C1)CC/C=C/CCC=C

DOS

IR

Vibrations