Geometry & MOs

Info

ID:	127536
PubChem CID:	51005349
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	7.02
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@H]2CC(=O)NNC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations