Geometry & MOs

Info

ID:	331476
PubChem CID:	127248883
Reduced:	O3N6C22H28 (1)
Stoich.:	A3B6C22D28 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	8.03
IP(EA), eV:	-8.86(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(7-methoxy-1-benzofuran-2-yl)methyl]morpholin-2-yl]-N,N-dimethyl-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC(=O)N3CCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations