Geometry & MOs

Info

ID:	323944
PubChem CID:	126676651
Reduced:	O2N7H15C17 (1)
Stoich.:	A2B7C15D17 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	93.65
Dipole, Da:	5.45
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-6-propan-2-yl-1,3-dioxan-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations