Geometry & MOs

Info

ID:	243625
PubChem CID:	99233477
Reduced:	N3O5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	473.288971
ΔH_f, kcal/mol:	-259.63
Dipole, Da:	2.76
IP(EA), eV:	-9.61(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(3R)-1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)CCN2CCOC2=O

DOS

IR

Vibrations