Geometry & MOs

Info

ID:	259514
PubChem CID:	103167216
Reduced:	BrNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	1.67
IP(EA), eV:	-9.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C(CN)C2=CC(=CC=C2)Br)O

DOS

IR

Vibrations