Geometry & MOs

Info

ID:	359807
PubChem CID:	127299851
Reduced:	N5C20H27 (1)
Stoich.:	A5B20C27 (1)
Weight, g/mol:	337.226646
ΔH_f, kcal/mol:	48.61
Dipole, Da:	2.91
IP(EA), eV:	-8.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC=CC=N2)NC3CCN(C3)C4CCCC4

DOS

IR

Vibrations