Geometry & MOs

Info

ID:	288471
PubChem CID:	104317074
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-130.23
Dipole, Da:	3.14
IP(EA), eV:	-7.69(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxyanilino)butan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NCCC(C)O

DOS

IR

Vibrations