Geometry & MOs

Info

ID:	148039
PubChem CID:	53787701
Reduced:	C11H16 (2)
Stoich.:	A11B16 (2)
Weight, g/mol:	206.131807
ΔH_f, kcal/mol:	-2.45
Dipole, Da:	0.62
IP(EA), eV:	-9.13(0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[butyl-[(1S)-1-carboxy-2-hydroxyethyl]amino]ethylidene-tritiooxidanium

Drug info:

PubChemData

Smile

CC.CC.C1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations