Geometry & MOs

Info

ID:

175957

PubChem CID:

75973732

Reduced:

FO3N5C23H26 (1)

Stoich.:

AB3C5D23E26 (1)

Weight, g/mol:

463.14226

ΔHf, kcal/mol:

-101.28

Dipole, Da:

5.3

IP(EA), eV:

 -8.87(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2C(C(N1)C)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations