Geometry & MOs

Info

ID:	290428
PubChem CID:	104498004
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-79.48
Dipole, Da:	6.24
IP(EA), eV:	-9.21(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-methoxy-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1CCN(C1)S(=O)(=O)C2=CN(C(=C2)CN)C

DOS

IR

Vibrations