Geometry & MOs

Info

ID:	78340
PubChem CID:	49688533
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	410.256943
ΔH_f, kcal/mol:	-137.9
Dipole, Da:	5.15
IP(EA), eV:	-8.87(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)NCC2CCN(CC2)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations