Geometry & MOs

Info

ID:	331459
PubChem CID:	127248866
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	22.08
Dipole, Da:	3.54
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)OC

DOS

IR

Vibrations