Geometry & MOs

Info

ID:	51980
PubChem CID:	12014751
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	3.54
IP(EA), eV:	-8.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethoxyphenyl)methyl]pentan-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCC2=CC=C(C=C2)C=O

DOS

IR

Vibrations