Geometry & MOs

Info

ID:	333860
PubChem CID:	127252412
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-20.18
Dipole, Da:	5.64
IP(EA), eV:	-9.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC2CN(CCOC2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations