Geometry & MOs

Info

ID:	308413
PubChem CID:	125327215
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	401.0375
ΔH_f, kcal/mol:	-18.51
Dipole, Da:	4.73
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(4-bromophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-3,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NN=C(C2)C(=O)NCC3=CC(=CC=C3)Br)OC

DOS

IR

Vibrations