Geometry & MOs

Info

ID:	422922
PubChem CID:	135118620
Reduced:	FNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	2.97
IP(EA), eV:	-9.24(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations