Geometry & MOs

Info

ID:	436813
PubChem CID:	135211823
Reduced:	ClO2N6C32H33 (1)
Stoich.:	AB2C6D32E33 (1)
Weight, g/mol:	230.22458
ΔH_f, kcal/mol:	13.36
Dipole, Da:	7.19
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-pentoxybutane

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C(=NC=C2C3=CC4=C(CN(CC4)C5=NC=CC(=N5)C6=CN=CC=C6)C=C3)Cl)CC(=O)O)C

DOS

IR

Vibrations