Geometry & MOs

Info

ID:	414459
PubChem CID:	135087417
Reduced:	O6N7C35H49 (1)
Stoich.:	A6B7C35D49 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-233.93
Dipole, Da:	6.9
IP(EA), eV:	-9.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(3,4-dimethylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)CC(C)C)C(=O)C2=CC=CC=N2)CC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations