Geometry & MOs

Info

ID:	167253
PubChem CID:	74797977
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	451.221954
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	3.53
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=CC(=NN2C3NC(CC(=O)N3)C(C)C)C4=CC=CO4

DOS

IR

Vibrations