Geometry & MOs

Info

ID:	17569
PubChem CID:	505107
Reduced:	O2N4H18C25 (1)
Stoich.:	A2B4C18D25 (1)
Weight, g/mol:	406.142976
ΔH_f, kcal/mol:	74.41
Dipole, Da:	6.67
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN(C3=CC=CC(=C3)C#N)C(=O)CC(=O)C4=NC=CC=N4

DOS

IR

Vibrations