Geometry & MOs

Info

ID:	233209
PubChem CID:	89449288
Reduced:	N2S2O5H22C26 (1)
Stoich.:	A2B2C5D22E26 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	7.19
IP(EA), eV:	-8.89(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-(2-oxopropyl)phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2)C#CC3=CC4=C(S3)C=C(S4)C5(CC5)C(=O)OC

DOS

IR

Vibrations