Geometry & MOs

Info

ID:	62141
PubChem CID:	26717728
Reduced:	ClN2O5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	486.11542
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	2.14
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)Cl

DOS

IR

Vibrations