Geometry & MOs

Info

ID:	48400
PubChem CID:	10544607
Reduced:	N2O4C12H17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-38.11
Dipole, Da:	8.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.028208
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(methoxymethyl)indol-7-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

C[N+]1(CCOC2=C(C1)C=CC=C2[N+](=O)[O-])CCO

DOS

IR

Vibrations