Geometry & MOs

Info

ID:	197296
PubChem CID:	78950047
Reduced:	INOSF3H11C14 (1)
Stoich.:	ABCDE3F11G14 (1)
Weight, g/mol:	294.11907
ΔH_f, kcal/mol:	-130.92
Dipole, Da:	3.97
IP(EA), eV:	-9.62(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)C2=CSC(=C2)I

DOS

IR

Vibrations