Geometry & MOs

Info

ID:	446659
PubChem CID:	135276698
Reduced:	OSF2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	3.14
IP(EA), eV:	-8.62(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CSC=C(O1)C(F)F

DOS

IR

Vibrations