Geometry & MOs

Info

ID:	372835
PubChem CID:	131305712
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-121.36
Dipole, Da:	3.83
IP(EA), eV:	-10.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-3-propyl-1H-pyrrol-2-yl)piperidin-4-ol

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)CC=CC=O)C

DOS

IR

Vibrations