Geometry & MOs

Info

ID:	407407
PubChem CID:	135080034
Reduced:	BrO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-153.92
Dipole, Da:	1.6
IP(EA), eV:	-9.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]methylidene]propanedioate

Drug info:

PubChemData

Smile

COC(=O)/C=C/OC(CCCCBr)COCC1=CC=CC=C1

DOS

IR

Vibrations