Geometry & MOs

Info

ID:	145586
PubChem CID:	53548926
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	56.78
Dipole, Da:	7.72
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[[1-[4-(phenoxymethyl)benzoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)CNC3=C4C=NN(C4=NC=N3)CCO

DOS

IR

Vibrations