Geometry & MOs

Info

ID:	333856
PubChem CID:	127252408
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	34.09
Dipole, Da:	1.59
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[6-(methylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOCC(C2)CC3=CC(=NC=N3)N(C)C

DOS

IR

Vibrations