Geometry & MOs

Info

ID:	216996
PubChem CID:	85087092
Reduced:	BrPO4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	323.07535
ΔH_f, kcal/mol:	-196.11
Dipole, Da:	3.14
IP(EA), eV:	-9.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-4-(trinitromethyl)-1,4-dihydronaphthalen-1-ol

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1)C(P(=O)(OC)OC)Br

DOS

IR

Vibrations