Geometry & MOs

Info

ID:	296095
PubChem CID:	117556396
Reduced:	FN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	221.164046
ΔH_f, kcal/mol:	12.88
Dipole, Da:	1.97
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-aminopropyl)-4-N-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=NC=NC(=C2)NCCCN)F

DOS

IR

Vibrations