Geometry & MOs

Info

ID:	288433
PubChem CID:	104316593
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	3.66
IP(EA), eV:	-8.17(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1)OC)CN)O

DOS

IR

Vibrations