Geometry & MOs

Info

ID:	283811
PubChem CID:	104010239
Reduced:	BrClNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	4.63
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-ethoxy-2-methoxycyclobutyl)-4,6-dimethylaniline

Drug info:

PubChemData

Smile

CCOC1CC(C1OC)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations