Geometry & MOs

Info

ID:	145095
PubChem CID:	53460770
Reduced:	O2N4C29H42 (1)
Stoich.:	A2B4C29D42 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	5.26
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(4-methylphenyl)-4-(2-nitrophenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=CC3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations