Geometry & MOs

Info

ID:	264415
PubChem CID:	103459820
Reduced:	NOC8H15 (2)
Stoich.:	ABC8D15 (2)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-110.69
Dipole, Da:	4.2
IP(EA), eV:	-9.22(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-3-ethylpentane-1,2-diol

Drug info:

PubChemData

Smile

CCC(CC)C(C(CC1=NN(C=C1)C(CC)CC)O)O

DOS

IR

Vibrations