Geometry & MOs

Info

ID:	333854
PubChem CID:	127252406
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-66.33
Dipole, Da:	1.59
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations