Geometry & MOs

Info

ID:	228119
PubChem CID:	87563485
Reduced:	N2O3H18C23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	216.245316
ΔH_f, kcal/mol:	-1.15
Dipole, Da:	2.35
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-methylbutoxy)butane;2-methylpropane

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=NC3=C(C=C2)C=C(C=C3)CC=O)OC4=CC=CC=N4

DOS

IR

Vibrations