Geometry & MOs

Info

ID:	337190
PubChem CID:	127256755
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-163.3
Dipole, Da:	3.14
IP(EA), eV:	-9.0(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,3-dimethoxypropyl)-2,3,4-trimethoxybenzonitrile

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@](CN1CC2=CC=CC=C2)(CO)O)O)O

DOS

IR

Vibrations