Geometry & MOs

Info

ID:	378959
PubChem CID:	134228554
Reduced:	FN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	216.20893
ΔH_f, kcal/mol:	33.53
Dipole, Da:	5.97
IP(EA), eV:	-9.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-4-methyloctane-1,2-diol

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)N2C(=NN=N2)C)F

DOS

IR

Vibrations