Geometry & MOs

Info

ID:	171530
PubChem CID:	75389591
Reduced:	ClFSN2O2C10H10 (1)
Stoich.:	ABCD2E2F10G10 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	6.74
IP(EA), eV:	-10.52(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CCC(C#N)NS(=O)(=O)C1=C(C=C(C=C1)F)Cl

DOS

IR

Vibrations