Geometry & MOs

Info

ID:	397756
PubChem CID:	135030688
Reduced:	ClNOH12C16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	386.143567
ΔH_f, kcal/mol:	29.2
Dipole, Da:	1.32
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diphenylphosphoryl-6-methoxy-4,8-dimethylazulene

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)Cl)C=CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations