Geometry & MOs

Info

ID:	200032
PubChem CID:	79335179
Reduced:	ClOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	37.44
Dipole, Da:	3.25
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-ol

Drug info:

PubChemData

Smile

CCC(=CC1=C(N=C2N1C=CS2)Cl)C=O

DOS

IR

Vibrations