Geometry & MOs

Info

ID:	265645
PubChem CID:	103536665
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	243.077454
ΔH_f, kcal/mol:	-56.6
Dipole, Da:	2.91
IP(EA), eV:	-8.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C2=NC(=CC=C2)Br

DOS

IR

Vibrations