Geometry & MOs

Info

ID:	89807
PubChem CID:	49964761
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	408.14337
ΔH_f, kcal/mol:	-65.95
Dipole, Da:	3.26
IP(EA), eV:	-9.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(3-nitrophenyl)-3-phenyl-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)O)OC

DOS

IR

Vibrations