Geometry & MOs

Info

ID:	331425
PubChem CID:	127248832
Reduced:	O3N6C23H32 (1)
Stoich.:	A3B6C23D32 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	7.63
IP(EA), eV:	-8.95(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)C(=O)N)N(C)C

DOS

IR

Vibrations