Geometry & MOs

Info

ID:	380899
PubChem CID:	134971498
Reduced:	NO4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-5.62
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754279
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3(CC3)[O-])O[N+](=O)[O-]

DOS

IR

Vibrations