Geometry & MOs

Info

ID:	422628
PubChem CID:	135118162
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	11.21
Dipole, Da:	2.37
IP(EA), eV:	-8.36(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-(2,3-dihydro-1-benzofuran-5-carbonyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)N)N3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations