Geometry & MOs

Info

ID:	205213
PubChem CID:	80069663
Reduced:	ClN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	41.22
Dipole, Da:	5.36
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-hydroxybutan-2-yl)piperidin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2CC3=CC=CC(=N3)C)C(C)Cl

DOS

IR

Vibrations