Geometry & MOs

Info

ID:	3216
PubChem CID:	9339
Reduced:	N2O5C10H12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	240.074621
ΔH_f, kcal/mol:	-62.52
Dipole, Da:	3.26
IP(EA), eV:	-10.29(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2,4-dinitro-6-propan-2-ylphenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations