Geometry & MOs

Info

ID:	247769
PubChem CID:	103073195
Reduced:	NSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	233.123821
ΔH_f, kcal/mol:	29.48
Dipole, Da:	2.87
IP(EA), eV:	-8.86(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)CC(=C)CS

DOS

IR

Vibrations