Geometry & MOs

Info

ID:	331439
PubChem CID:	127248846
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	5.78
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(6-methoxy-2,3-dihydro-1H-inden-5-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)CCN3CCCC3=O)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations