Geometry & MOs

Info

ID:	37144
PubChem CID:	8017456
Reduced:	Cl2O3N5H11C16 (1)
Stoich.:	A2B3C5D11E16 (1)
Weight, g/mol:	384.97165
ΔH_f, kcal/mol:	-14.73
Dipole, Da:	5.45
IP(EA), eV:	-9.57(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,5-dimethoxyphenyl)methyl 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)N3C=NC=N3

DOS

IR

Vibrations