Geometry & MOs

Info

ID:	262751
PubChem CID:	103314113
Reduced:	SN2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	276.16602
ΔH_f, kcal/mol:	15.95
Dipole, Da:	1.95
IP(EA), eV:	-8.45(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)thiomorpholine

Drug info:

PubChemData

Smile

C1CN(CCSC1)C2CCC3=CC=CC=C3NC2

DOS

IR

Vibrations