Geometry & MOs

Info

ID:	34553
PubChem CID:	7978658
Reduced:	FCl2N3O3C17H18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-147.42
Dipole, Da:	6.19
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-thiophen-2-ylbutanoyl)adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl)Cl

DOS

IR

Vibrations