Geometry & MOs

Info

ID:	375612
PubChem CID:	134214107
Reduced:	FO2N6C25H25 (1)
Stoich.:	AB2C6D25E25 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	3.73
IP(EA), eV:	-9.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[methyl-[5-[6-(propylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=C1)C2=CC(=NC=N2)NCCC3=C4C(=C(C=C3)F)C(=CC=N4)C(=O)NC)O

DOS

IR

Vibrations