Geometry & MOs

Info

ID:	333864
PubChem CID:	127252416
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-113.0
Dipole, Da:	5.31
IP(EA), eV:	-9.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[6-(methylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC2CN(CCOC2)C(=O)C3CCOCC3

DOS

IR

Vibrations