Geometry & MOs

Info

ID:	286624
PubChem CID:	104179526
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	251.168543
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	2.66
IP(EA), eV:	-9.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

CC(CO)(C1=CC=CC=C1)NCC2=NC=C(C=C2)O

DOS

IR

Vibrations