Geometry & MOs

Info

ID:	380897
PubChem CID:	134971496
Reduced:	O2C17H31 (1)
Stoich.:	A2B17C31 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	-126.74
Dipole, Da:	2.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755027
Charge, e:	0

Chem-info

IUPAC name:

[(1-hydroperoxycyclopropyl)-bis(4-methylphenyl)methyl] nitrate

Drug info:

PubChemData

Smile

CC(CCC/C(=C/C(=O)OC)/C)CCC(C)[C+](C)C

DOS

IR

Vibrations