Geometry & MOs

Info

ID:	31900
PubChem CID:	3723182
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	3.75
IP(EA), eV:	-8.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethyloxan-4-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC12C3=C(CCN1C(=O)CN(C2=O)CC4=CC=NC=C4)C5=CC=CC=C5N3

DOS

IR

Vibrations