Geometry & MOs

Info

ID:	266135
PubChem CID:	103558495
Reduced:	NF2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-170.82
Dipole, Da:	3.08
IP(EA), eV:	-9.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations