Geometry & MOs

Info

ID:	187271
PubChem CID:	77553098
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-117.43
Dipole, Da:	7.01
IP(EA), eV:	-8.86(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxypropyl)-1-[1-[4-(6-oxopiperidin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CN(C(CCC1=CC=C(C=C1)OC)CN)C(=O)O

DOS

IR

Vibrations