Geometry & MOs

Info

ID:	333223
PubChem CID:	127251771
Reduced:	ON2C7H8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	-2.49
Dipole, Da:	2.59
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)CN2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations