Geometry & MOs

Info

ID:	336131
PubChem CID:	127255138
Reduced:	N2O4C11H11 (2)
Stoich.:	A2B4C11D11 (2)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-185.69
Dipole, Da:	7.42
IP(EA), eV:	-9.26(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O

DOS

IR

Vibrations