Geometry & MOs

Info

ID:	167249
PubChem CID:	74797715
Reduced:	O4N5C18H19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	447.05422
ΔH_f, kcal/mol:	-51.6
Dipole, Da:	7.29
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-(furan-2-yl)pyrazol-3-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations