Geometry & MOs

Info

ID:	201894
PubChem CID:	79600285
Reduced:	NO5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	264.220164
ΔH_f, kcal/mol:	-192.58
Dipole, Da:	5.78
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[butyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCC(=O)OC)O

DOS

IR

Vibrations