Geometry & MOs

Info

ID:	333778
PubChem CID:	127252330
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	21.39
Dipole, Da:	2.19
IP(EA), eV:	-9.28(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-cyclohexyl-1,4-oxazepan-6-yl)methyl]-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1COCC(CN1CC2=NC=CN2)CC3=CN=CC=C3

DOS

IR

Vibrations