Geometry & MOs

Info

ID:	420138
PubChem CID:	135111380
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-102.98
Dipole, Da:	4.37
IP(EA), eV:	-8.43(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[4-(4-tert-butylphenyl)-4-oxobutyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(CC2)N3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations