Geometry & MOs

Info

ID:	28989
PubChem CID:	831019
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	6.51
IP(EA), eV:	-9.21(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyanilino)-5,5-dipropyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCC1(C(=O)N=C(N(C1=O)C)NCC2=CC=C(C=C2)OC)CC

DOS

IR

Vibrations