Geometry & MOs

Info

ID:	167250
PubChem CID:	74797716
Reduced:	BrO4N5C18H18 (1)
Stoich.:	AB4C5D18E18 (1)
Weight, g/mol:	387.22704
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	6.32
IP(EA), eV:	-8.94(-1.3)
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]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=C(O4)Br

DOS

IR

Vibrations