Geometry & MOs

Info

ID:	230872
PubChem CID:	87572180
Reduced:	ClNPO6H37C41 (1)
Stoich.:	ABCD6E37F41 (1)
Weight, g/mol:	308.222978
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	7.5
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)OOP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6)O

DOS

IR

Vibrations