Geometry & MOs

Info

ID:	141112
PubChem CID:	52820610
Reduced:	BrO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-75.39
Dipole, Da:	9.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757522
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCC(CC2)C(=O)NC(C)C

DOS

IR

Vibrations