Geometry & MOs

Info

ID:	173066
PubChem CID:	75592435
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	1.13
IP(EA), eV:	-9.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-ethyl-5-methyl-4,6-dioxo-1-(3-pyrazol-1-ylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1CC(CC(O1)C2=CC=CC(=C2)CN3C=CC=N3)NC(=O)C

DOS

IR

Vibrations