Geometry & MOs

Info

ID:	344154
PubChem CID:	127267330
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-156.09
Dipole, Da:	4.38
IP(EA), eV:	-8.5(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-3-oxoprop-1-ynyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C(C)C(=O)NCCC1=CC=C(C=C1)OC(C)C)O

DOS

IR

Vibrations