Geometry & MOs

Info

ID:	365142
PubChem CID:	127316946
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	5.05
IP(EA), eV:	-8.86(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2(CCOCC2)CNC(=O)C3CCCN3C(=O)C

DOS

IR

Vibrations