Geometry & MOs

Info

ID:	210558
PubChem CID:	80822822
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	20.56
Dipole, Da:	2.64
IP(EA), eV:	-9.12(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)OC1=NC(=NC(=N1)N2CC3=CC=CC=C3C2)N

DOS

IR

Vibrations