Geometry & MOs

Info

ID:	64802
PubChem CID:	29204021
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	6.53
IP(EA), eV:	-9.55(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

DOS

IR

Vibrations