Geometry & MOs

Info

ID:	307454
PubChem CID:	125299974
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-117.76
Dipole, Da:	10.73
IP(EA), eV:	-8.57(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylanilino)-6-propyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=C3CCC(OC3=C2)(C)C)CC(=O)N[C@@H](C)CC4=C5C=CC=CC5=NC4

DOS

IR

Vibrations