Geometry & MOs

Info

ID:	262750
PubChem CID:	103314069
Reduced:	NC9H15 (2)
Stoich.:	AB9C15 (2)
Weight, g/mol:	262.15037
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	1.44
IP(EA), eV:	-8.39(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-1,4-thiazepane

Drug info:

PubChemData

Smile

CCC(CC)CN(CC)C1CCC2=CC=CC=C2NC1

DOS

IR

Vibrations