Geometry & MOs

Info

ID:	167251
PubChem CID:	74797890
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	3.99
IP(EA), eV:	-8.88(-0.22)
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]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations