Geometry & MOs

Info

ID:	306360
PubChem CID:	125003914
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	22.5
Dipole, Da:	7.48
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-6-benzyl-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C2N=CC=C(N2N=C1)[C@@H]3CCCN(C3)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations