Geometry & MOs

Info

ID:	295016
PubChem CID:	117511830
Reduced:	BrO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	330.05791
ΔH_f, kcal/mol:	-165.16
Dipole, Da:	2.65
IP(EA), eV:	-9.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-N-methoxymethanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1OC)C(C(=O)OC)O)Br

DOS

IR

Vibrations