Geometry & MOs

Info

ID:	199250
PubChem CID:	79222613
Reduced:	NOSC16H23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	246.107836
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	2.58
IP(EA), eV:	-8.46(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-4-(2,3-dihydro-1-benzothiophen-2-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(COCC2CC3=CC=CC=C3S2)N

DOS

IR

Vibrations