Geometry & MOs

Info

ID:	296094
PubChem CID:	117556112
Reduced:	NS2O4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	261.138974
ΔH_f, kcal/mol:	-143.48
Dipole, Da:	4.48
IP(EA), eV:	-9.88(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(3-aminopropyl)-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CS1)C(=O)O

DOS

IR

Vibrations