Geometry & MOs

Info

ID:	290339
PubChem CID:	104430146
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	6.02
IP(EA), eV:	-8.64(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CCC(=O)NCCOC)CCNC2

DOS

IR

Vibrations