Geometry & MOs

Info

ID:	210269
PubChem CID:	80783328
Reduced:	SN4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	324.117546
ΔH_f, kcal/mol:	23.47
Dipole, Da:	3.55
IP(EA), eV:	-8.75(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NC2=NC=NC(=C2C(C)C)NC

DOS

IR

Vibrations