Geometry & MOs

Info

ID:	266126
PubChem CID:	103558470
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-73.95
Dipole, Da:	4.1
IP(EA), eV:	-9.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(4-fluorophenyl)-1-(1-methoxycyclobutyl)butan-2-ol

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C(CN)C2=CC=C(C=C2)Br)O

DOS

IR

Vibrations