Geometry & MOs

Info

ID:	423720
PubChem CID:	135120071
Reduced:	ClN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	336.139782
ΔH_f, kcal/mol:	-186.06
Dipole, Da:	6.78
IP(EA), eV:	-9.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations