Geometry & MOs

Info

ID:	292020
PubChem CID:	114137380
Reduced:	ClSN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	271.119988
ΔH_f, kcal/mol:	31.46
Dipole, Da:	5.61
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC2=CC(=NC(=N2)CC)Cl

DOS

IR

Vibrations