Geometry & MOs

Info

ID:	283810
PubChem CID:	104010100
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	333.01312
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	3.03
IP(EA), eV:	-8.49(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(3-ethoxy-2-methoxycyclobutyl)aniline

Drug info:

PubChemData

Smile

CCOC1CC(C1OC)NCC(C)CSC

DOS

IR

Vibrations