Geometry & MOs

Info

ID:	434369
PubChem CID:	135174802
Reduced:	NO2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	418.08921
ΔH_f, kcal/mol:	-106.9
Dipole, Da:	1.55
IP(EA), eV:	-8.95(1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[(azetidin-3-ylmethylamino)methyl]phenoxy]methyl]-3-bromobenzoate

Drug info:

PubChemData

Smile

CCOCCOC1CC(C1)NC(C)C

DOS

IR

Vibrations