Geometry & MOs

Info

ID:	34606
PubChem CID:	7978721
Reduced:	ClF3N3O3C18H19 (1)
Stoich.:	AB3C3D3E18F19 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-248.98
Dipole, Da:	4.09
IP(EA), eV:	-9.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)Cl

DOS

IR

Vibrations