Geometry & MOs

Info

ID:	433971
PubChem CID:	135174119
Reduced:	ON2C24H34 (1)
Stoich.:	AB2C24D34 (1)
Weight, g/mol:	418.08921
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	3.36
IP(EA), eV:	-8.62(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC3CCNCC3

DOS

IR

Vibrations