Geometry & MOs

Info

ID:	199994
PubChem CID:	79329531
Reduced:	ClNSC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	37.99
Dipole, Da:	3.76
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(=CC1=CC=C(S1)C2=CC=C(C=C2)Cl)CNC

DOS

IR

Vibrations