Geometry & MOs

Info

ID:	296126
PubChem CID:	117557248
Reduced:	N5C11H19 (1)
Stoich.:	A5B11C19 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	36.0
Dipole, Da:	0.81
IP(EA), eV:	-8.89(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(3-aminopropyl)-4-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2CC2)NCCCN

DOS

IR

Vibrations