Geometry & MOs

Info

ID:	84304
PubChem CID:	49865668
Reduced:	ON4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	31.63
Dipole, Da:	3.38
IP(EA), eV:	-8.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methylbutanoylamino)phenyl] adamantane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CCCCNC3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations