Geometry & MOs

Info

ID:	333863
PubChem CID:	127252415
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-24.99
Dipole, Da:	5.65
IP(EA), eV:	-9.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC2CN(CCOC2)C(=O)C3=NC=CN3C

DOS

IR

Vibrations