Geometry & MOs

Info

ID:	277218
PubChem CID:	103827341
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-100.85
Dipole, Da:	2.48
IP(EA), eV:	-9.17(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-ethylphenyl)methylamino]-3-propan-2-yloxypropan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCC(COC2CCCCC2)O

DOS

IR

Vibrations