Geometry & MOs

Info

ID:	262754
PubChem CID:	103314358
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	273.098749
ΔH_f, kcal/mol:	-22.96
Dipole, Da:	2.88
IP(EA), eV:	-9.28(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepine

Drug info:

PubChemData

Smile

C1CC(C1)OC2CCC3=CC=CC=C3NC2

DOS

IR

Vibrations