Geometry & MOs

Info

ID:	308386
PubChem CID:	125326783
Reduced:	ON2C4H5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	6.65
Dipole, Da:	3.98
IP(EA), eV:	-9.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-4-pyridin-3-yl-2,3-dihydro-1,3-thiazol-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@H](C(=N1)C(=O)O)C2=NN=CC2

DOS

IR

Vibrations