Geometry & MOs

Info

ID:	36680
PubChem CID:	8010957
Reduced:	OSN5C11H19 (1)
Stoich.:	ABC5D11E19 (1)
Weight, g/mol:	410.0365
ΔH_f, kcal/mol:	-7.08
Dipole, Da:	5.18
IP(EA), eV:	-8.47(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,5-dimethoxyphenyl)methyl 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NNC(=N2)N)C

DOS

IR

Vibrations