Geometry & MOs

Info

ID:	255801
PubChem CID:	103134802
Reduced:	ClNOSC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	273.12774
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	2.46
IP(EA), eV:	-8.4(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations