Geometry & MOs

Info

ID:	34565
PubChem CID:	7978675
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-120.5
Dipole, Da:	3.51
IP(EA), eV:	-9.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-benzylphenoxy)acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CNC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations