Geometry & MOs

Info

ID:	265718
PubChem CID:	103541930
Reduced:	O4N5C10H15 (1)
Stoich.:	A4B5C10D15 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	3.86
IP(EA), eV:	-9.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethoxypyrrolidin-1-yl)-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C2=NC=NC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations