Geometry & MOs

Info

ID:	421014
PubChem CID:	135115238
Reduced:	ON4C25H32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	6.48
Dipole, Da:	6.48
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(2-methyl-2-naphthalen-1-yloxypropanoyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CCN(C)C)CC3=CN=C(N3)C

DOS

IR

Vibrations