Geometry & MOs

Info

ID:	34598
PubChem CID:	7978711
Reduced:	BrO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	364.135384
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	3.25
IP(EA), eV:	-9.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-chloro-6-fluorophenyl)acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC(=CN=C4)Br

DOS

IR

Vibrations