Geometry & MOs

Info

ID:	414533
PubChem CID:	135087492
Reduced:	N4O5C25H38 (1)
Stoich.:	A4B5C25D38 (1)
Weight, g/mol:	361.188923
ΔH_f, kcal/mol:	-232.88
Dipole, Da:	7.67
IP(EA), eV:	-8.96(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C(C)C

DOS

IR

Vibrations