Geometry & MOs

Info

ID:	331356
PubChem CID:	127248763
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	-14.62
Dipole, Da:	6.95
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations