Geometry & MOs

Info

ID:	155018
PubChem CID:	56314587
Reduced:	N3O5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	410.187543
ΔH_f, kcal/mol:	-217.27
Dipole, Da:	8.18
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCCCN1C(=O)/C=C/C2=CC=C(C=C2)OCC(=O)N

DOS

IR

Vibrations