Geometry & MOs

Info

ID:	320825
PubChem CID:	126663788
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	334.02046
ΔH_f, kcal/mol:	76.83
Dipole, Da:	6.02
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-bromo-6-methoxy-2,3-dimethylbenzoate

Drug info:

PubChemData

Smile

CC/C=C(\CC#N)/C1=NC=C(O1)C2=C(C(=NC=N2)NC)CC=C

DOS

IR

Vibrations