Geometry & MOs

Info

ID:	398824
PubChem CID:	135035614
Reduced:	PO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	319.157229
ΔH_f, kcal/mol:	7.32
Dipole, Da:	5.31
IP(EA), eV:	-9.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-2-phenyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)/OO

DOS

IR

Vibrations