Geometry & MOs

Info

ID:	202823
PubChem CID:	79731189
Reduced:	OSF2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	226.179361
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	1.16
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(pyrrolidin-3-ylamino)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=CC=C(C=C2)SC)O

DOS

IR

Vibrations