Geometry & MOs

Info

ID:	332695
PubChem CID:	127250981
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	6.33
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=CC(=N2)C3CN(CCO3)CC(=O)N4CCCCC4

DOS

IR

Vibrations