Geometry & MOs

Info

ID:	266128
PubChem CID:	103558476
Reduced:	NCl2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-95.14
Dipole, Da:	3.32
IP(EA), eV:	-9.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations