Geometry & MOs

Info

ID:	186162
PubChem CID:	77397272
Reduced:	N5O5C21H31 (1)
Stoich.:	A5B5C21D31 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-184.99
Dipole, Da:	3.23
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[5-(6-ethoxypyridin-3-yl)-6-methyl-2-(propylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)OC)C2=C(N=C(N=C2NC3CC(C(C3O)O)CO)NCCOC)C

DOS

IR

Vibrations