Geometry & MOs

Info

ID:	34776
PubChem CID:	7978924
Reduced:	NSO4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	2.01
IP(EA), eV:	-8.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyl)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@@H](CS2)C(=O)OCCOC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations