Geometry & MOs

Info

ID:	85010
PubChem CID:	49871295
Reduced:	O5H12C15 (1)
Stoich.:	A5B12C15 (1)
Weight, g/mol:	488.120913
ΔH_f, kcal/mol:	-166.04
Dipole, Da:	4.45
IP(EA), eV:	-9.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-chloro-2-methylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@@H]2C3=C(C(=CC(=C3)O)O)C(=O)O2)O

DOS

IR

Vibrations