Geometry & MOs

Info

ID:	179997
PubChem CID:	76564544
Reduced:	N4C11H17 (2)
Stoich.:	A4B11C17 (2)
Weight, g/mol:	395.243359
ΔH_f, kcal/mol:	75.49
Dipole, Da:	3.22
IP(EA), eV:	-8.06(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-7-yl)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-N-(5-methylpyrazolidin-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=CC(=NC(=N2)C3CC4=CC=CC=C4N3C)N(C)CCN(C)C

DOS

IR

Vibrations