Geometry & MOs

Info

ID:	242647
PubChem CID:	97857726
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	312.087685
ΔH_f, kcal/mol:	-89.38
Dipole, Da:	6.81
IP(EA), eV:	-9.05(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-nitrophenyl)-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]([C@H]1CCCCN1C(=O)C2=NNC(=C2)CC(C)C)O

DOS

IR

Vibrations