Geometry & MOs

Info

ID:	202191
PubChem CID:	79640890
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	285.230394
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	2.65
IP(EA), eV:	-8.48(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(oxan-4-ylmethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OC2CCCC(C2)(CO)N

DOS

IR

Vibrations