Geometry & MOs

Info

ID:	186877
PubChem CID:	77500404
Reduced:	FNOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	3.33
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[(2-hydroxybenzoyl)amino]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC=C(COC1=NC2=CC=CC=C2S1)F

DOS

IR

Vibrations