Geometry & MOs

Info

ID:	210313
PubChem CID:	80787718
Reduced:	OSN4C15H28 (1)
Stoich.:	ABC4D15E28 (1)
Weight, g/mol:	229.073038
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	2.98
IP(EA), eV:	-8.53(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)SC)N(CCO)C(CC)CC

DOS

IR

Vibrations