Geometry & MOs

Info

ID:	144595
PubChem CID:	53387450
Reduced:	NSO2F6H17C20 (1)
Stoich.:	ABC2D6E17F20 (1)
Weight, g/mol:	235.110947
ΔH_f, kcal/mol:	-357.17
Dipole, Da:	4.47
IP(EA), eV:	-9.41(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-indol-3-ylidenemethyl]-1-pyridin-3-ylmethanamine

Drug info:

PubChemData

Smile

C1[C@]2(CS[C@@H](N2[C@H](O1)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F)CO

DOS

IR

Vibrations