Geometry & MOs

Info

ID:	265717
PubChem CID:	103541900
Reduced:	BrON4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	269.112404
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	3.11
IP(EA), eV:	-8.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethoxypyrrolidin-1-yl)-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)N2CCC(C2)OC)Br

DOS

IR

Vibrations