Geometry & MOs

Info

ID:	89801
PubChem CID:	49964731
Reduced:	BrN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	457.140449
ΔH_f, kcal/mol:	-16.6
Dipole, Da:	2.58
IP(EA), eV:	-9.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-(2,2-dimethoxyethyl)-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(C1=O)NN=C2C3=CC=CC=C3)C4=CC(=CC=C4)Br)OC

DOS

IR

Vibrations