Geometry & MOs

Info

ID:	435507
PubChem CID:	135191664
Reduced:	NH21C23 (1)
Stoich.:	AB21C23 (1)
Weight, g/mol:	282.144222
ΔH_f, kcal/mol:	78.35
Dipole, Da:	1.88
IP(EA), eV:	-7.89(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-butyl-2,9-dimethyl-9H-cyclohepta[b][1]benzothiole

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC=CC=C12)NC3=CCC(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations