Geometry & MOs

Info

ID:	211413
PubChem CID:	80945331
Reduced:	BrClSN3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	285.124405
ΔH_f, kcal/mol:	51.21
Dipole, Da:	2.73
IP(EA), eV:	-9.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(6-chloro-2-propylpyrimidin-4-yl)amino]butanoate

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)NCC2=CC=C(S2)Br

DOS

IR

Vibrations