Geometry & MOs

Info

ID:	56409
PubChem CID:	17425366
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	392.127167
ΔH_f, kcal/mol:	34.62
Dipole, Da:	4.71
IP(EA), eV:	-8.87(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations