Geometry & MOs

Info

ID:	422407
PubChem CID:	135117782
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	286.159375
ΔH_f, kcal/mol:	-166.28
Dipole, Da:	4.27
IP(EA), eV:	-8.92(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)C3=NC=CN3C)OC[C@@H]1O)NC(=O)CSC

DOS

IR

Vibrations