Geometry & MOs

Info

ID:	203368
PubChem CID:	79820489
Reduced:	ClNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	276.140868
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	2.57
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations