Geometry & MOs

Info

ID:	308382
PubChem CID:	125326757
Reduced:	BrN3O5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	473.05863
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	9.91
IP(EA), eV:	-9.25(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-3,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COCCN1[C@H](C2=C(C1=O)N=N[C@H]2C3=CC=CC=C3O)C4=CC(=C(C(=C4)Br)O)OC

DOS

IR

Vibrations