Geometry & MOs

Info

ID:	12160
PubChem CID:	131653
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	51.88
Dipole, Da:	3.32
IP(EA), eV:	-8.15(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(prop-2-ynylamino)methyl]indol-5-ol

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)O)C=C1CNCC#C

DOS

IR

Vibrations