Geometry & MOs

Info

ID:	2716
PubChem CID:	8366
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	3.01
IP(EA), eV:	-8.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;1-(1H-indol-3-yl)butan-2-amine

Drug info:

PubChemData

Smile

CCC(CC1=CNC2=CC=CC=C21)N.CC(=O)O

DOS

IR

Vibrations