Geometry & MOs

Info

ID:	333200
PubChem CID:	127251748
Reduced:	FON6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	382.130887
ΔH_f, kcal/mol:	29.2
Dipole, Da:	3.03
IP(EA), eV:	-8.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=C2F)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations