Geometry & MOs

Info

ID:	263849
PubChem CID:	103401373
Reduced:	ClOSN3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	384.99028
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	2.96
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=CC3=C(C=C2)NC(=O)N(C3)C)N

DOS

IR

Vibrations