Geometry & MOs

Info

ID:	417823
PubChem CID:	135102833
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-57.2
Dipole, Da:	6.76
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C(C=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations