Geometry & MOs

Info

ID:	266127
PubChem CID:	103558472
Reduced:	FNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	317.094934
ΔH_f, kcal/mol:	-123.67
Dipole, Da:	4.01
IP(EA), eV:	-9.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(2,4-dichlorophenyl)-1-(1-methoxycyclobutyl)butan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations