Geometry & MOs

Info

ID:	416554
PubChem CID:	135089670
Reduced:	ON2C23H26 (1)
Stoich.:	AB2C23D26 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-7.76
Dipole, Da:	1.18
IP(EA), eV:	-8.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)N3CCC(C3)(C4=CC=CC=C4C)O)C)C

DOS

IR

Vibrations