Geometry & MOs

Info

ID:	23678
PubChem CID:	605370
Reduced:	SN2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	256.10342
ΔH_f, kcal/mol:	83.26
Dipole, Da:	1.73
IP(EA), eV:	-8.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-5-thia-3-azatricyclo[6.2.1.02,7]undeca-3,9-dien-4-amine

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2CSC(=N3)NC4=CC=CC=C4

DOS

IR

Vibrations