Geometry & MOs

Info

ID:	48394
PubChem CID:	10544255
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	3.92
IP(EA), eV:	-8.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[(4-methoxyphenyl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CC(C#N)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations