Geometry & MOs

Info

ID:	175956
PubChem CID:	75973547
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	439.201968
ΔH_f, kcal/mol:	84.7
Dipole, Da:	5.21
IP(EA), eV:	-9.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-2,3,3a,7a-tetrahydropyrazolo[4,3-d]pyrimidin-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CC(NN2)C3=NC(=NO3)C4=CC=CC=C4)C

DOS

IR

Vibrations