Geometry & MOs

Info

ID:	333202
PubChem CID:	127251750
Reduced:	O2N6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	392.159689
ΔH_f, kcal/mol:	40.78
Dipole, Da:	4.08
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyphenyl)-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations