Geometry & MOs

Info

ID:	242607
PubChem CID:	97857577
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	309.16079
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	2.77
IP(EA), eV:	-8.01(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[[(1S)-1-(1-methylpiperidin-4-yl)ethyl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)N[C@H](C)C2=CC3=C(C=C2)OCCO3)C

DOS

IR

Vibrations