Geometry & MOs

Info

ID:	418076
PubChem CID:	135103483
Reduced:	N5O5C26H31 (1)
Stoich.:	A5B5C26D31 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	2.98
IP(EA), eV:	-8.91(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[3-(pyridin-3-ylamino)propylamino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCC3=CN(CCOC4=CC=CC(=C4)CC(=O)NCC5CN(C2)CCO5)N=N3

DOS

IR

Vibrations