Geometry & MOs

Info

ID:	203295
PubChem CID:	79809002
Reduced:	ClFOSN2H10C14 (1)
Stoich.:	ABCDE2F10G14 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	8.69
Dipole, Da:	1.86
IP(EA), eV:	-8.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-ethyl-1-(4-hydroxypiperidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=CSC=C1C2=NOC(=C2C3=C(C=C(C=C3)F)Cl)N

DOS

IR

Vibrations