Geometry & MOs

Info

ID:	397770
PubChem CID:	135030708
Reduced:	NO2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	292.24023
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	1.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758758
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-1-(2-methyldecan-2-yl)benzene

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](C[N]C1)O)O

DOS

IR

Vibrations