Geometry & MOs

Info

ID:	185205
PubChem CID:	77269371
Reduced:	ClO4N6H27C28 (1)
Stoich.:	AB4C6D27E28 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-47.71
Dipole, Da:	8.64
IP(EA), eV:	-8.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-7-ylmethylamino)propan-1-ol

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OC)NC(=O)C=C

DOS

IR

Vibrations