Geometry & MOs

Info

ID:	439262
PubChem CID:	135229029
Reduced:	O2N7C20H33 (1)
Stoich.:	A2B7C20D33 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-17.33
Dipole, Da:	1.82
IP(EA), eV:	-8.81(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2,3-dihydro-1-benzofuran-6-yl)propoxy]-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)COC2=CN=C(N=C2NC(CCCN)CCO)NC3(CC3)C)C

DOS

IR

Vibrations