Geometry & MOs

Info

ID:	267411
PubChem CID:	103582148
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	4.36
IP(EA), eV:	-8.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-methoxycyclobutyl)-3,5-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=C(OC=C2)C(=O)OC

DOS

IR

Vibrations