Geometry & MOs

Info

ID:	167252
PubChem CID:	74797960
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	7.43
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(furan-2-yl)-2-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-3-yl]-2-(2-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)C1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations