Geometry & MOs

Info

ID:	333853
PubChem CID:	127252405
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	4.27
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCOCC(C2)CC3=NC=CN=C3

DOS

IR

Vibrations