Geometry & MOs

Info

ID:	331463
PubChem CID:	127248870
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	12.04
Dipole, Da:	2.48
IP(EA), eV:	-8.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations