Geometry & MOs

Info

ID:	34783
PubChem CID:	7978931
Reduced:	SN3O4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-118.5
Dipole, Da:	7.9
IP(EA), eV:	-9.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyl)acetyl]-4-butoxybenzohydrazide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@@H](CS2)C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

DOS

IR

Vibrations