Geometry & MOs

Info

ID:	446350
PubChem CID:	135274283
Reduced:	OPN2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	343.076392
ΔH_f, kcal/mol:	32.78
Dipole, Da:	5.65
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-amine

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)OC#N)P

DOS

IR

Vibrations