Geometry & MOs

Info

ID:	335888
PubChem CID:	127254750
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	6.08
IP(EA), eV:	-8.62(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCCN3C=CC=C3)OC

DOS

IR

Vibrations