Geometry & MOs

Info

ID:	286664
PubChem CID:	104179649
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-31.41
Dipole, Da:	3.07
IP(EA), eV:	-9.15(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-fluorophenyl)cyclobutyl]amino]-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNCC2=C(C(=NC=C2CO)C)O

DOS

IR

Vibrations