Geometry & MOs

Info

ID:	89872
PubChem CID:	49965120
Reduced:	BrN4O5H19C21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-25.29
Dipole, Da:	5.76
IP(EA), eV:	-9.79(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(3-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(C1=O)NN=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)Br)OC

DOS

IR

Vibrations