Geometry & MOs

Info

ID:	383154
PubChem CID:	134974718
Reduced:	O4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-126.5
Dipole, Da:	3.02
IP(EA), eV:	-8.5(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-4,8b-dihydro-3H-diazirino[3,1-a]isoquinoline

Drug info:

PubChemData

Smile

C[C@H](CC#CCOC1CCCCO1)OCC2=CC=C(C=C2)OC

DOS

IR

Vibrations