Geometry & MOs

Info

ID:	233599
PubChem CID:	91145593
Reduced:	NH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	106.39
Dipole, Da:	1.4
IP(EA), eV:	-8.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyloct-1-ene-3,6-diol

Drug info:

PubChemData

Smile

C1=CC=C2C=NC(=CC2=C1)NC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations